4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine

C17H30N4 — CID 62288310

IUPAC4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)CC(C)(C)C)c(CNC2CC2)n1
InChIInChI=1S/C17H30N4/c1-12(2)16-19-10-15(21(6)11-17(3,4)5)14(20-16)9-18-13-7-8-13/h10,12-13,18H,7-9,11H2,1-6H3
InChIKeyJKYYBWICUFWVAA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.33
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62288310) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID62288310
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)CC(C)(C)C)c(CNC2CC2)n1
InChIInChI=1S/C17H30N4/c1-12(2)16-19-10-15(21(6)11-17(3,4)5)14(20-16)9-18-13-7-8-13/h10,12-13,18H,7-9,11H2,1-6H3
InChIKeyJKYYBWICUFWVAA-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62282983
N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700531
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 115987729
1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
CID 79390588
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088137
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62278808
N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62282645
4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62088695

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine (CID 62288310) is 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine is CC(C)c1ncc(N(C)CC(C)(C)C)c(CNC2CC2)n1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is JKYYBWICUFWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-12(2)16-19-10-15(21(6)11-17(3,4)5)14(20-16)9-18-13-7-8-13/h10,12-13,18H,7-9,11H2,1-6H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 290.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62288310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).