N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine

C16H27N3O — CID 62290994

IUPACN-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1OC1CCCC1
InChIInChI=1S/C16H27N3O/c1-11(2)16-18-10-15(20-13-7-5-6-8-13)14(19-16)9-17-12(3)4/h10-13,17H,5-9H2,1-4H3
InChIKeyJDMHVVQDZHVZCP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.42
Rot. Bonds6

About N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine

N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine (PubChem CID 62290994) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine
PubChem CID62290994
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1OC1CCCC1
InChIInChI=1S/C16H27N3O/c1-11(2)16-18-10-15(20-13-7-5-6-8-13)14(19-16)9-17-12(3)4/h10-13,17H,5-9H2,1-4H3
InChIKeyJDMHVVQDZHVZCP-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine (CID 62290994) is N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine is CC(C)NCc1nc(C(C)C)ncc1OC1CCCC1.
What is the InChIKey of N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
The InChIKey is JDMHVVQDZHVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)16-18-10-15(20-13-7-5-6-8-13)14(19-16)9-17-12(3)4/h10-13,17H,5-9H2,1-4H3.
What are the key properties of N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine?
N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62290994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).