N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine

C21H24ClN7 — CID 137447354

IUPACN-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
SMILESC=C1N(C)CCN1c1ccnc(NC(C)c2cn(-c3ccc(Cl)cc3)c(C)n2)n1
InChIInChI=1S/C21H24ClN7/c1-14(19-13-29(15(2)25-19)18-7-5-17(22)6-8-18)24-21-23-10-9-20(26-21)28-12-11-27(4)16(28)3/h5-10,13-14H,3,11-12H2,1-2,4H3,(H,23,24,26)
InChIKeyIIBQJJZFAGQKOF-UHFFFAOYSA-N
MW409.93 g/mol
LogP4.02
Rot. Bonds5

About N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine

N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine (PubChem CID 137447354) has the molecular formula C21H24ClN7 and a molecular weight of 409.93 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
PubChem CID137447354
Molecular FormulaC21H24ClN7
Molecular Weight409.93 g/mol
Exact Mass409.18
IUPAC NameN-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
SMILESC=C1N(C)CCN1c1ccnc(NC(C)c2cn(-c3ccc(Cl)cc3)c(C)n2)n1
InChIInChI=1S/C21H24ClN7/c1-14(19-13-29(15(2)25-19)18-7-5-17(22)6-8-18)24-21-23-10-9-20(26-21)28-12-11-27(4)16(28)3/h5-10,13-14H,3,11-12H2,1-2,4H3,(H,23,24,26)
InChIKeyIIBQJJZFAGQKOF-UHFFFAOYSA-N
XLogP4.02
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
CID 137447311
(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-5-propan-2-ylpyrrolidin-2-one
CID 159270671
1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342785
1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 177371369
[(3R)-1-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-5-oxopyrrolidin-3-yl]carbamic acid
CID 90459843
N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
CID 137447301
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
CID 145372237
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
tert-butyl N-[(3S)-1-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-5-oxopyrrolidin-3-yl]carbamate
CID 144714274
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-5-propan-2-yl-3-(trideuteriomethyl)imidazolidin-2-one;(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159680699

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine (CID 137447354) is N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine is C=C1N(C)CCN1c1ccnc(NC(C)c2cn(-c3ccc(Cl)cc3)c(C)n2)n1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
The InChIKey is IIBQJJZFAGQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7/c1-14(19-13-29(15(2)25-19)18-7-5-17(22)6-8-18)24-21-23-10-9-20(26-21)28-12-11-27(4)16(28)3/h5-10,13-14H,3,11-12H2,1-2,4H3,(H,23,24,26).
What are the key properties of N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine has a molecular weight of 409.93 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 137447354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).