N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine

C14H25N3 — CID 63926924

IUPACN-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)CCC(C)C)ncn1
InChIInChI=1S/C14H25N3/c1-5-6-13-9-14(16-10-15-13)17-12(4)8-7-11(2)3/h9-12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyPRVVMLXIJZWIBQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds7

About N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine

N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 63926924) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
PubChem CID63926924
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)CCC(C)C)ncn1
InChIInChI=1S/C14H25N3/c1-5-6-13-9-14(16-10-15-13)17-12(4)8-7-11(2)3/h9-12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyPRVVMLXIJZWIBQ-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine (CID 63926924) is N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine is CCCc1cc(NC(C)CCC(C)C)ncn1.
What is the InChIKey of N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is PRVVMLXIJZWIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-13-9-14(16-10-15-13)17-12(4)8-7-11(2)3/h9-12H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine?
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63926924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).