N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide

C8H12N4O2 — CID 135741768

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-4(2)7(13)12-5-6(9)10-3-11-8(5)14/h3-4H,1-2H3,(H,12,13)(H3,9,10,11,14)
InChIKeyHSHSTLKZTPFRCZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.05
Rot. Bonds2

About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide (PubChem CID 135741768) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
PubChem CID135741768
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-4(2)7(13)12-5-6(9)10-3-11-8(5)14/h3-4H,1-2H3,(H,12,13)(H3,9,10,11,14)
InChIKeyHSHSTLKZTPFRCZ-UHFFFAOYSA-N
XLogP-0.05
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 169130894
(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
CID 137048002
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135991796
4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 117213982
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 23339831
5-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107771145
5-hydroxy-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 136501496

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide (CID 135741768) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The InChIKey is HSHSTLKZTPFRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4(2)7(13)12-5-6(9)10-3-11-8(5)14/h3-4H,1-2H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide has a molecular weight of 196.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 135741768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).