N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide

C8H12N4O — CID 102922368

IUPACN-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
SMILESC[C@H](CN)NC(=O)c1cncnc1
InChIInChI=1S/C8H12N4O/c1-6(2-9)12-8(13)7-3-10-5-11-4-7/h3-6H,2,9H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyNTGSTVYOFJOHCJ-ZCFIWIBFSA-N
MW180.21 g/mol
LogP-0.45
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide

N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide (PubChem CID 102922368) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
PubChem CID102922368
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
SMILESC[C@H](CN)NC(=O)c1cncnc1
InChIInChI=1S/C8H12N4O/c1-6(2-9)12-8(13)7-3-10-5-11-4-7/h3-6H,2,9H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyNTGSTVYOFJOHCJ-ZCFIWIBFSA-N
XLogP-0.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922915
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
diethyl 2-(pyrimidine-5-carbonylamino)propanedioate
CID 104625967
N-(1-cyanoethyl)pyrimidine-5-carboxamide
CID 104626690
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
CID 120509165
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 106355183

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide (CID 102922368) is N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide is C[C@H](CN)NC(=O)c1cncnc1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is NTGSTVYOFJOHCJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(2-9)12-8(13)7-3-10-5-11-4-7/h3-6H,2,9H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide?
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 102922368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).