N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine

C21H29N7 — CID 137447301

IUPACN-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
SMILESC=C1N(C)CCN1c1ccnc(NC2(c3cn(CC4CCCC4)cn3)CC2)n1
InChIInChI=1S/C21H29N7/c1-16-26(2)11-12-28(16)19-7-10-22-20(24-19)25-21(8-9-21)18-14-27(15-23-18)13-17-5-3-4-6-17/h7,10,14-15,17H,1,3-6,8-9,11-13H2,2H3,(H,22,24,25)
InChIKeyLXSDIYDZFDUKJL-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.19
Rot. Bonds6

About N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine

N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine (PubChem CID 137447301) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
PubChem CID137447301
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC NameN-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
SMILESC=C1N(C)CCN1c1ccnc(NC2(c3cn(CC4CCCC4)cn3)CC2)n1
InChIInChI=1S/C21H29N7/c1-16-26(2)11-12-28(16)19-7-10-22-20(24-19)25-21(8-9-21)18-14-27(15-23-18)13-17-5-3-4-6-17/h7,10,14-15,17H,1,3-6,8-9,11-13H2,2H3,(H,22,24,25)
InChIKeyLXSDIYDZFDUKJL-UHFFFAOYSA-N
XLogP3.19
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[2-[[1-[1-(cyclohexylmethyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-methylamino]ethyl]-N-methylformamide
CID 137447493
N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
CID 137447517
1-[2-[[1-[1-(5-methyl-2-pyridinyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 130469778
N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
CID 137447354
3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
CID 142748948
3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
CID 142748952
(4S)-3-[2-[[1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 130469629
4-(azepan-1-yl)-N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903182
N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67455415
1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
CID 137447341
(4S)-3-[2-[[1-[1-(3-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-ol
CID 137447319
1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 70719484

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine (CID 137447301) is N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine is C=C1N(C)CCN1c1ccnc(NC2(c3cn(CC4CCCC4)cn3)CC2)n1.
What is the InChIKey of N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
The InChIKey is LXSDIYDZFDUKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-16-26(2)11-12-28(16)19-7-10-22-20(24-19)25-21(8-9-21)18-14-27(15-23-18)13-17-5-3-4-6-17/h7,10,14-15,17H,1,3-6,8-9,11-13H2,2H3,(H,22,24,25).
What are the key properties of N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?
N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine has a molecular weight of 379.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 137447301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).