2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide

C10H17N5O — CID 80809279

IUPAC2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(NC)ncn1
InChIInChI=1S/C10H17N5O/c1-4-15(6-10(16)12-3)9-5-8(11-2)13-7-14-9/h5,7H,4,6H2,1-3H3,(H,12,16)(H,11,13,14)
InChIKeyWKHVYTZMRSBRBQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.09
Rot. Bonds5

About 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide

2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide (PubChem CID 80809279) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
PubChem CID80809279
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(NC)ncn1
InChIInChI=1S/C10H17N5O/c1-4-15(6-10(16)12-3)9-5-8(11-2)13-7-14-9/h5,7H,4,6H2,1-3H3,(H,12,16)(H,11,13,14)
InChIKeyWKHVYTZMRSBRBQ-UHFFFAOYSA-N
XLogP0.09
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
2-[(6-aminopyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808495
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
6-N-methyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871767
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80961589
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide (CID 80809279) is 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide is CCN(CC(=O)NC)c1cc(NC)ncn1.
What is the InChIKey of 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
The InChIKey is WKHVYTZMRSBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-4-15(6-10(16)12-3)9-5-8(11-2)13-7-14-9/h5,7H,4,6H2,1-3H3,(H,12,16)(H,11,13,14).
What are the key properties of 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide?
2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80809279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).