1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

C20H19ClN6O — CID 73296574

IUPAC1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2CCc2nc(Nc3cncnc3)ncc2Cl)CC1
InChIInChI=1S/C20H19ClN6O/c21-16-11-25-19(26-14-9-23-12-24-10-14)27-17(16)6-5-13-3-1-2-4-15(13)20(7-8-20)18(22)28/h1-4,9-12H,5-8H2,(H2,22,28)(H,25,26,27)
InChIKeyOZGDLMQYSZELNV-UHFFFAOYSA-N
MW394.87 g/mol
LogP2.97
Rot. Bonds7

About 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 73296574) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID73296574
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2CCc2nc(Nc3cncnc3)ncc2Cl)CC1
InChIInChI=1S/C20H19ClN6O/c21-16-11-25-19(26-14-9-23-12-24-10-14)27-17(16)6-5-13-3-1-2-4-15(13)20(7-8-20)18(22)28/h1-4,9-12H,5-8H2,(H2,22,28)(H,25,26,27)
InChIKeyOZGDLMQYSZELNV-UHFFFAOYSA-N
XLogP2.97
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-Chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118395147
2-(2-(2-(2-((4-(Piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164480
2-(2-(2-(2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164481
2-(2-(2-(2-((4-(4-Ethylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164589
2-(2-(2-(2-((4-((4-Methylpiperazin-1-yl)methyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164911
1-[2-[2-[5-Chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
CID 89995346
6-cyclopropyl-N-(4,6-dichloro-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415299
N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415342
N-[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-2-phenylacetamide
CID 71602460
N-[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-phenylbutanamide
CID 71602527
N-[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-6-phenylhexanamide
CID 71602529
N-[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-3-phenylpropanamide
CID 71602588

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (CID 73296574) is 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is NC(=O)C1(c2ccccc2CCc2nc(Nc3cncnc3)ncc2Cl)CC1.
What is the InChIKey of 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is OZGDLMQYSZELNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-16-11-25-19(26-14-9-23-12-24-10-14)27-17(16)6-5-13-3-1-2-4-15(13)20(7-8-20)18(22)28/h1-4,9-12H,5-8H2,(H2,22,28)(H,25,26,27).
What are the key properties of 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 394.87 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 73296574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).