N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

C14H25N3 — CID 113222606

IUPACN-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCCC(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-10(2)13-16-11(3)9-12(17-13)15-8-7-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyKWLWLRRPGQGNRA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds4

About N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 113222606) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID113222606
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCCC(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-10(2)13-16-11(3)9-12(17-13)15-8-7-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyKWLWLRRPGQGNRA-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 113222606) is N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCCC(C)(C)C)nc(C(C)C)n1.
What is the InChIKey of N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KWLWLRRPGQGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)13-16-11(3)9-12(17-13)15-8-7-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113222606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).