2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide

C10H17N5O — CID 115978164

IUPAC2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nccc(N)n1
InChIInChI=1S/C10H17N5O/c1-7(2)13-9(16)6-15(3)10-12-5-4-8(11)14-10/h4-5,7H,6H2,1-3H3,(H,13,16)(H2,11,12,14)
InChIKeyXGCZRUOQVBIXAF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds4

About 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide

2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 115978164) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID115978164
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nccc(N)n1
InChIInChI=1S/C10H17N5O/c1-7(2)13-9(16)6-15(3)10-12-5-4-8(11)14-10/h4-5,7H,6H2,1-3H3,(H,13,16)(H2,11,12,14)
InChIKeyXGCZRUOQVBIXAF-UHFFFAOYSA-N
XLogP0.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-carbamothioylpyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 107547064
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 80901609
4-amino-N-propan-2-ylpyrimidine-2-carboxamide
CID 117213055
2-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55005158
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 80821234
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide (CID 115978164) is 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1nccc(N)n1.
What is the InChIKey of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is XGCZRUOQVBIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7(2)13-9(16)6-15(3)10-12-5-4-8(11)14-10/h4-5,7H,6H2,1-3H3,(H,13,16)(H2,11,12,14).
What are the key properties of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 115978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).