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

C14H25N3O — CID 83189667

IUPACN-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCCCOc1ncc(CNCCC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-4-6-7-9-18-14-16-11-13(12(3)17-14)10-15-8-5-2/h11,15H,4-10H2,1-3H3
InChIKeySJWFJDMRNNKFKD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds9

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

N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 83189667) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
PubChem CID83189667
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCCCOc1ncc(CNCCC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-4-6-7-9-18-14-16-11-13(12(3)17-14)10-15-8-5-2/h11,15H,4-10H2,1-3H3
InChIKeySJWFJDMRNNKFKD-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
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-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine (CID 83189667) is N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine is CCCCCOc1ncc(CNCCC)c(C)n1.
What is the InChIKey of N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is SJWFJDMRNNKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-7-9-18-14-16-11-13(12(3)17-14)10-15-8-5-2/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine?
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 83189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).