1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one

C13H22N4O — CID 115266282

IUPAC1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)c1cc(N(C)C(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-10(18)8-16(5)11-7-12(15-9-14-11)17(6)13(2,3)4/h7,9H,8H2,1-6H3
InChIKeyMCHICHBBSFDCTM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.74
Rot. Bonds4

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

1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one (PubChem CID 115266282) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one
PubChem CID115266282
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one
SMILESCC(=O)CN(C)c1cc(N(C)C(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-10(18)8-16(5)11-7-12(15-9-14-11)17(6)13(2,3)4/h7,9H,8H2,1-6H3
InChIKeyMCHICHBBSFDCTM-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298
1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266292
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
CID 126849037
methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264976
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288
1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
CID 115265039
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid
CID 62818579
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
CID 99980296

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one?
The IUPAC name of 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one (CID 115266282) is 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one.
What is the SMILES notation for 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one?
The canonical SMILES for 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one is CC(=O)CN(C)c1cc(N(C)C(C)(C)C)ncn1.
What is the InChIKey of 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one?
The InChIKey is MCHICHBBSFDCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(18)8-16(5)11-7-12(15-9-14-11)17(6)13(2,3)4/h7,9H,8H2,1-6H3.
What are the key properties of 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one?
1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one is sourced from PubChem (CID 115266282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).