N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine

C14H25N3 — CID 63927535

IUPACN-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CCC(C)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C14H25N3/c1-10(2)6-7-12(5)17-14-8-13(11(3)4)15-9-16-14/h8-12H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyBITSHLCMOSTQSV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds6

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

N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 63927535) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID63927535
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CCC(C)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C14H25N3/c1-10(2)6-7-12(5)17-14-8-13(11(3)4)15-9-16-14/h8-12H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyBITSHLCMOSTQSV-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
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-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine (CID 63927535) is N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine is CC(C)CCC(C)Nc1cc(C(C)C)ncn1.
What is the InChIKey of N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BITSHLCMOSTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)6-7-12(5)17-14-8-13(11(3)4)15-9-16-14/h8-12H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.84, 6 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63927535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).