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

C11H20N6O — CID 80820844

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCNc1cc(N(C)CC(=O)NC(C)C)nc(N)n1
InChIInChI=1S/C11H20N6O/c1-7(2)14-10(18)6-17(4)9-5-8(13-3)15-11(12)16-9/h5,7H,6H2,1-4H3,(H,14,18)(H3,12,13,15,16)
InChIKeyCTPVQGSAHAKPKQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.06
Rot. Bonds5

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

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 80820844) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID80820844
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCNc1cc(N(C)CC(=O)NC(C)C)nc(N)n1
InChIInChI=1S/C11H20N6O/c1-7(2)14-10(18)6-17(4)9-5-8(13-3)15-11(12)16-9/h5,7H,6H2,1-4H3,(H,14,18)(H3,12,13,15,16)
InChIKeyCTPVQGSAHAKPKQ-UHFFFAOYSA-N
XLogP0.06
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80964094
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 103326512
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 80820844) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is CNc1cc(N(C)CC(=O)NC(C)C)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is CTPVQGSAHAKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-7(2)14-10(18)6-17(4)9-5-8(13-3)15-11(12)16-9/h5,7H,6H2,1-4H3,(H,14,18)(H3,12,13,15,16).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80820844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).