6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine

C14H25N3 — CID 62314163

IUPAC6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1nc(NC)cc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-7-10(8-2)13-16-11(14(3,4)5)9-12(15-6)17-13/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyDAXFYNRHQKOLPN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.72
Rot. Bonds4

About 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine

6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine (PubChem CID 62314163) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine
PubChem CID62314163
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1nc(NC)cc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-7-10(8-2)13-16-11(14(3,4)5)9-12(15-6)17-13/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyDAXFYNRHQKOLPN-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55045244
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
CID 116503109
2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine
CID 63485945
6-N-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957538
6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62314178
6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190921
6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476186
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine (CID 62314163) is 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine is CCC(CC)c1nc(NC)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine?
The InChIKey is DAXFYNRHQKOLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-7-10(8-2)13-16-11(14(3,4)5)9-12(15-6)17-13/h9-10H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine?
6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-2-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 62314163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).