2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine

C16H27N3O — CID 102989575

IUPAC2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(OC(C)CCC)c1C
InChIInChI=1S/C16H27N3O/c1-5-7-11(3)20-16-12(4)14(17-10-6-2)18-15(19-16)13-8-9-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyKUEUJXAMWSABFM-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.05
Rot. Bonds8

About 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine

2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine (PubChem CID 102989575) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
PubChem CID102989575
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(OC(C)CCC)c1C
InChIInChI=1S/C16H27N3O/c1-5-7-11(3)20-16-12(4)14(17-10-6-2)18-15(19-16)13-8-9-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyKUEUJXAMWSABFM-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine (CID 102989575) is 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(OC(C)CCC)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
The InChIKey is KUEUJXAMWSABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-7-11(3)20-16-12(4)14(17-10-6-2)18-15(19-16)13-8-9-13/h11,13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102989575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).