N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine

C15H25N3O — CID 62287352

IUPACN-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1nc(C(C)C)ncc1OC1CCC1
InChIInChI=1S/C15H25N3O/c1-4-8-16-9-13-14(19-12-6-5-7-12)10-17-15(18-13)11(2)3/h10-12,16H,4-9H2,1-3H3
InChIKeyYXPPCXVZPCOURS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.03
Rot. Bonds7

About N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine

N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 62287352) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID62287352
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1nc(C(C)C)ncc1OC1CCC1
InChIInChI=1S/C15H25N3O/c1-4-8-16-9-13-14(19-12-6-5-7-12)10-17-15(18-13)11(2)3/h10-12,16H,4-9H2,1-3H3
InChIKeyYXPPCXVZPCOURS-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine (CID 62287352) is N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1nc(C(C)C)ncc1OC1CCC1.
What is the InChIKey of N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is YXPPCXVZPCOURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-8-16-9-13-14(19-12-6-5-7-12)10-17-15(18-13)11(2)3/h10-12,16H,4-9H2,1-3H3.
What are the key properties of N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62287352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).