6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine

C13H23N3 — CID 43419817

IUPAC6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCC(C)Nc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N3/c1-6-7-10(4)14-12-8-11(5)15-13(16-12)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyGBMOVPGRSPZSRJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.51
Rot. Bonds5

About 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 43419817) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
PubChem CID43419817
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCC(C)Nc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N3/c1-6-7-10(4)14-12-8-11(5)15-13(16-12)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyGBMOVPGRSPZSRJ-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine (CID 43419817) is 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine is CCCC(C)Nc1cc(C)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GBMOVPGRSPZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-7-10(4)14-12-8-11(5)15-13(16-12)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 43419817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).