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

C9H15N5O2 — CID 137148853

IUPACN-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCNc1nc(NC(=O)C(C)C)[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-4(2)7(15)13-9-12-6(11-3)5(10)8(16)14-9/h4H,10H2,1-3H3,(H3,11,12,13,14,15,16)
InChIKeyOZRKAVUFSCXTLG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.01
Rot. Bonds3

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

N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 137148853) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
PubChem CID137148853
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCNc1nc(NC(=O)C(C)C)[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-4(2)7(15)13-9-12-6(11-3)5(10)8(16)14-9/h4H,10H2,1-3H3,(H3,11,12,13,14,15,16)
InChIKeyOZRKAVUFSCXTLG-UHFFFAOYSA-N
XLogP-0.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (CID 137148853) is N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is CNc1nc(NC(=O)C(C)C)[nH]c(=O)c1N.
What is the InChIKey of N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is OZRKAVUFSCXTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4(2)7(15)13-9-12-6(11-3)5(10)8(16)14-9/h4H,10H2,1-3H3,(H3,11,12,13,14,15,16).
What are the key properties of N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 225.25 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 137148853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).