6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine

C15H25N3 — CID 63354181

IUPAC6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(CCC(C)C)n1
InChIInChI=1S/C15H25N3/c1-4-9-16-15-10-13(12-6-7-12)17-14(18-15)8-5-11(2)3/h10-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyTYCOSUQMPYCDFW-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.76
Rot. Bonds7

About 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine (PubChem CID 63354181) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
PubChem CID63354181
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(CCC(C)C)n1
InChIInChI=1S/C15H25N3/c1-4-9-16-15-10-13(12-6-7-12)17-14(18-15)8-5-11(2)3/h10-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyTYCOSUQMPYCDFW-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine (CID 63354181) is 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(CCC(C)C)n1.
What is the InChIKey of 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
The InChIKey is TYCOSUQMPYCDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-9-16-15-10-13(12-6-7-12)17-14(18-15)8-5-11(2)3/h10-12H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63354181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).