N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

C15H27N3 — CID 62746709

IUPACN-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C(C)(C)C)nc(C)c1CNCC(C)C
InChIInChI=1S/C15H27N3/c1-10(2)8-16-9-13-11(3)17-14(15(5,6)7)18-12(13)4/h10,16H,8-9H2,1-7H3
InChIKeySAPLPYKOVUEWMI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 62746709) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID62746709
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C(C)(C)C)nc(C)c1CNCC(C)C
InChIInChI=1S/C15H27N3/c1-10(2)8-16-9-13-11(3)17-14(15(5,6)7)18-12(13)4/h10,16H,8-9H2,1-7H3
InChIKeySAPLPYKOVUEWMI-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746715
4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 136889475
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746721
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746547
N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 63839957
N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 79712935
2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine
CID 122206259
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62757838

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine (CID 62746709) is N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine is Cc1nc(C(C)(C)C)nc(C)c1CNCC(C)C.
What is the InChIKey of N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is SAPLPYKOVUEWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(2)8-16-9-13-11(3)17-14(15(5,6)7)18-12(13)4/h10,16H,8-9H2,1-7H3.
What are the key properties of N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62746709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).