5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine

C21H23ClN6 — CID 110253193

IUPAC5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCCc1ncc(CN2CCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H23ClN6/c1-2-19-24-10-14(11-25-19)13-28-9-3-4-18(28)20-17(12-26-21(23)27-20)15-5-7-16(22)8-6-15/h5-8,10-12,18H,2-4,9,13H2,1H3,(H2,23,26,27)
InChIKeyHAWHEOWQMZIXKE-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.07
Rot. Bonds5

About 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine

5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 110253193) has the molecular formula C21H23ClN6 and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID110253193
Molecular FormulaC21H23ClN6
Molecular Weight394.91 g/mol
Exact Mass394.17
IUPAC Name5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCCc1ncc(CN2CCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H23ClN6/c1-2-19-24-10-14(11-25-19)13-28-9-3-4-18(28)20-17(12-26-21(23)27-20)15-5-7-16(22)8-6-15/h5-8,10-12,18H,2-4,9,13H2,1H3,(H2,23,26,27)
InChIKeyHAWHEOWQMZIXKE-UHFFFAOYSA-N
XLogP4.07
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-4-[(2R)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837176
4-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)pyrimidin-2-amine
CID 175661551
4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine
CID 110266744
5-(3-chlorophenyl)-4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124939630
5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110266191
2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide
CID 110253051
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95815151
[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95815143
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 129456664
5-(4-chlorophenyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110253191
5-(4-chlorophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266137

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine (CID 110253193) is 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine is CCc1ncc(CN2CCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is HAWHEOWQMZIXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6/c1-2-19-24-10-14(11-25-19)13-28-9-3-4-18(28)20-17(12-26-21(23)27-20)15-5-7-16(22)8-6-15/h5-8,10-12,18H,2-4,9,13H2,1H3,(H2,23,26,27).
What are the key properties of 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 394.91 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110253193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).