2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C10H17N5O — CID 80793217

IUPAC2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1nc(N)cc(NCC(=O)NC(C)C)n1
InChIInChI=1S/C10H17N5O/c1-6(2)13-10(16)5-12-9-4-8(11)14-7(3)15-9/h4,6H,5H2,1-3H3,(H,13,16)(H3,11,12,14,15)
InChIKeyDJYLPQDDADJBBI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.30
Rot. Bonds4

About 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80793217) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID80793217
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1nc(N)cc(NCC(=O)NC(C)C)n1
InChIInChI=1S/C10H17N5O/c1-6(2)13-10(16)5-12-9-4-8(11)14-7(3)15-9/h4,6H,5H2,1-3H3,(H,13,16)(H3,11,12,14,15)
InChIKeyDJYLPQDDADJBBI-UHFFFAOYSA-N
XLogP0.30
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793358
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80963892
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
N-ethyl-2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]acetamide
CID 80907084
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 43567853
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 80793217) is 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is Cc1nc(N)cc(NCC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is DJYLPQDDADJBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6(2)13-10(16)5-12-9-4-8(11)14-7(3)15-9/h4,6H,5H2,1-3H3,(H,13,16)(H3,11,12,14,15).
What are the key properties of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80793217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).