3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile

C15H24N4O — CID 133402733

IUPAC3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile
SMILESCOCc1cc(N(C)C(C)CC#N)nc(C(C)(C)C)n1
InChIInChI=1S/C15H24N4O/c1-11(7-8-16)19(5)13-9-12(10-20-6)17-14(18-13)15(2,3)4/h9,11H,7,10H2,1-6H3
InChIKeyHWPMHYAPPPYBKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile

3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile (PubChem CID 133402733) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile
PubChem CID133402733
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile
SMILESCOCc1cc(N(C)C(C)CC#N)nc(C(C)(C)C)n1
InChIInChI=1S/C15H24N4O/c1-11(7-8-16)19(5)13-9-12(10-20-6)17-14(18-13)15(2,3)4/h9,11H,7,10H2,1-6H3
InChIKeyHWPMHYAPPPYBKW-UHFFFAOYSA-N
XLogP2.66
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 133400592
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80971580
2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine
CID 75387376
3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829150
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80955556
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
3-[methyl-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829045
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
3-[(6-chloropyrimidin-4-yl)-methylamino]butanenitrile
CID 63228370

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile?
The IUPAC name of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile (CID 133402733) is 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile.
What is the SMILES notation for 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile?
The canonical SMILES for 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile is COCc1cc(N(C)C(C)CC#N)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile?
The InChIKey is HWPMHYAPPPYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(7-8-16)19(5)13-9-12(10-20-6)17-14(18-13)15(2,3)4/h9,11H,7,10H2,1-6H3.
What are the key properties of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile?
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile is sourced from PubChem (CID 133402733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).