4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide

C20H25N5O2 — CID 167957445

IUPAC4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide
SMILESCC1(C)CCC1C(=O)NC[C@H](NC(=O)c1nccc(N)n1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-20(2)10-8-14(20)18(26)23-12-15(13-6-4-3-5-7-13)24-19(27)17-22-11-9-16(21)25-17/h3-7,9,11,14-15H,8,10,12H2,1-2H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14?,15-/m0/s1
InChIKeyANIASRNPPDMRGY-LOACHALJSA-N
MW367.45 g/mol
LogP2.08
Rot. Bonds6

About 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide

4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide (PubChem CID 167957445) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide
PubChem CID167957445
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide
SMILESCC1(C)CCC1C(=O)NC[C@H](NC(=O)c1nccc(N)n1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-20(2)10-8-14(20)18(26)23-12-15(13-6-4-3-5-7-13)24-19(27)17-22-11-9-16(21)25-17/h3-7,9,11,14-15H,8,10,12H2,1-2H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14?,15-/m0/s1
InChIKeyANIASRNPPDMRGY-LOACHALJSA-N
XLogP2.08
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
4-amino-N-ethylpyrimidine-2-carboxamide
CID 117213053
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
CID 129071075
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
CID 154797193
N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 22134907
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide
CID 59849648
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide (CID 167957445) is 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide is CC1(C)CCC1C(=O)NC[C@H](NC(=O)c1nccc(N)n1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide?
The InChIKey is ANIASRNPPDMRGY-LOACHALJSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2)10-8-14(20)18(26)23-12-15(13-6-4-3-5-7-13)24-19(27)17-22-11-9-16(21)25-17/h3-7,9,11,14-15H,8,10,12H2,1-2H3,(H,23,26)(H,24,27)(H2,21,22,25)/t14?,15-/m0/s1.
What are the key properties of 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide?
4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167957445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).