2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide

C8H13N5O — CID 80779602

IUPAC2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccnc(N)n1
InChIInChI=1S/C8H13N5O/c1-10-7(14)5-13(2)6-3-4-11-8(9)12-6/h3-4H,5H2,1-2H3,(H,10,14)(H2,9,11,12)
InChIKeyRGRWWQWGIVNEIV-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.76
Rot. Bonds3

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

2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide (PubChem CID 80779602) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide
PubChem CID80779602
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccnc(N)n1
InChIInChI=1S/C8H13N5O/c1-10-7(14)5-13(2)6-3-4-11-8(9)12-6/h3-4H,5H2,1-2H3,(H,10,14)(H2,9,11,12)
InChIKeyRGRWWQWGIVNEIV-UHFFFAOYSA-N
XLogP-0.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 80805134
2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 62342254
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80791966
1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80811340
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 81132412
2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide (CID 80779602) is 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1ccnc(N)n1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide?
The InChIKey is RGRWWQWGIVNEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-10-7(14)5-13(2)6-3-4-11-8(9)12-6/h3-4H,5H2,1-2H3,(H,10,14)(H2,9,11,12).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide?
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide has a molecular weight of 195.23 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 80779602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).