N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide

C20H22N6O — CID 90039082

IUPACN-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1cnc(Nc2cn[nH]c2)nc1CCc1ccccc1NC(=O)C1CC1
InChIInChI=1S/C20H22N6O/c1-13-10-21-20(24-16-11-22-23-12-16)26-17(13)9-8-14-4-2-3-5-18(14)25-19(27)15-6-7-15/h2-5,10-12,15H,6-9H2,1H3,(H,22,23)(H,25,27)(H,21,24,26)
InChIKeyBJCGCAUOPDWRGN-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.39
Rot. Bonds7

About N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide

N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 90039082) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID90039082
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1cnc(Nc2cn[nH]c2)nc1CCc1ccccc1NC(=O)C1CC1
InChIInChI=1S/C20H22N6O/c1-13-10-21-20(24-16-11-22-23-12-16)26-17(13)9-8-14-4-2-3-5-18(14)25-19(27)15-6-7-15/h2-5,10-12,15H,6-9H2,1H3,(H,22,23)(H,25,27)(H,21,24,26)
InChIKeyBJCGCAUOPDWRGN-UHFFFAOYSA-N
XLogP3.39
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-methylpyrimidin-2-yl]amino]phenyl]methylcarbamic acid
CID 90007862
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
CID 66386649
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[2-[[2-(4-hydroxyanilino)-5-iodopyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 70880304
N-[2-[[2-(4-aminoanilino)-5-iodopyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 89059562
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 164651415
4-[[5-chloro-4-[2-(cyclopropanecarbonylamino)anilino]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 24997694
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide (CID 90039082) is N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide is Cc1cnc(Nc2cn[nH]c2)nc1CCc1ccccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is BJCGCAUOPDWRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-10-21-20(24-16-11-22-23-12-16)26-17(13)9-8-14-4-2-3-5-18(14)25-19(27)15-6-7-15/h2-5,10-12,15H,6-9H2,1H3,(H,22,23)(H,25,27)(H,21,24,26).
What are the key properties of N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide?
N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 362.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 90039082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).