2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide

C8H13N5O — CID 80779288

IUPAC2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCNc1cc(N(C)CC(N)=O)ncn1
InChIInChI=1S/C8H13N5O/c1-10-7-3-8(12-5-11-7)13(2)4-6(9)14/h3,5H,4H2,1-2H3,(H2,9,14)(H,10,11,12)
InChIKeyYOYZHXHDNBTDLI-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.56
Rot. Bonds4

About 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide

2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80779288) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80779288
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
SMILESCNc1cc(N(C)CC(N)=O)ncn1
InChIInChI=1S/C8H13N5O/c1-10-7-3-8(12-5-11-7)13(2)4-6(9)14/h3,5H,4H2,1-2H3,(H2,9,14)(H,10,11,12)
InChIKeyYOYZHXHDNBTDLI-UHFFFAOYSA-N
XLogP-0.56
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide (CID 80779288) is 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide is CNc1cc(N(C)CC(N)=O)ncn1.
What is the InChIKey of 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is YOYZHXHDNBTDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-10-7-3-8(12-5-11-7)13(2)4-6(9)14/h3,5H,4H2,1-2H3,(H2,9,14)(H,10,11,12).
What are the key properties of 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide?
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 195.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80779288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).