1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one

C10H16N4O — CID 115265039

IUPAC1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
SMILESCCN(C)c1cc(NCC(C)=O)ncn1
InChIInChI=1S/C10H16N4O/c1-4-14(3)10-5-9(12-7-13-10)11-6-8(2)15/h5,7H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyASTVJIMJXHMALB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.93
Rot. Bonds5

About 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one

1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one (PubChem CID 115265039) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
PubChem CID115265039
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
SMILESCCN(C)c1cc(NCC(C)=O)ncn1
InChIInChI=1S/C10H16N4O/c1-4-14(3)10-5-9(12-7-13-10)11-6-8(2)15/h5,7H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyASTVJIMJXHMALB-UHFFFAOYSA-N
XLogP0.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264973
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264319
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115263882
1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266292
4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
CID 115266311
1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
CID 135109087
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 80799613

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one?
The IUPAC name of 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one (CID 115265039) is 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one?
The canonical SMILES for 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one is CCN(C)c1cc(NCC(C)=O)ncn1.
What is the InChIKey of 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one?
The InChIKey is ASTVJIMJXHMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-14(3)10-5-9(12-7-13-10)11-6-8(2)15/h5,7H,4,6H2,1-3H3,(H,11,12,13).
What are the key properties of 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one?
1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one is sourced from PubChem (CID 115265039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).