2-methyl-6-pentan-3-ylpyrimidin-4-amine

C10H17N3 — CID 13398202

IUPAC2-methyl-6-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1cc(N)nc(C)n1
InChIInChI=1S/C10H17N3/c1-4-8(5-2)9-6-10(11)13-7(3)12-9/h6,8H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyMIABOOIFVPYTAC-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-6-pentan-3-ylpyrimidin-4-amine

2-methyl-6-pentan-3-ylpyrimidin-4-amine (PubChem CID 13398202) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-methyl-6-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-pentan-3-ylpyrimidin-4-amine
PubChem CID13398202
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-methyl-6-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1cc(N)nc(C)n1
InChIInChI=1S/C10H17N3/c1-4-8(5-2)9-6-10(11)13-7(3)12-9/h6,8H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyMIABOOIFVPYTAC-UHFFFAOYSA-N
XLogP2.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-pentan-3-ylpyrimidin-4-amine (CID 13398202) is 2-methyl-6-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-pentan-3-ylpyrimidin-4-amine is CCC(CC)c1cc(N)nc(C)n1.
What is the InChIKey of 2-methyl-6-pentan-3-ylpyrimidin-4-amine?
The InChIKey is MIABOOIFVPYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-8(5-2)9-6-10(11)13-7(3)12-9/h6,8H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-methyl-6-pentan-3-ylpyrimidin-4-amine?
2-methyl-6-pentan-3-ylpyrimidin-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 13398202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).