N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine

C10H17N3O — CID 62746833

IUPACN-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(COC)n1
InChIInChI=1S/C10H17N3O/c1-3-5-11-7-9-4-6-12-10(13-9)8-14-2/h4,6,11H,3,5,7-8H2,1-2H3
InChIKeyJAYKGUKVOKXPGN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.12
Rot. Bonds6

About N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 62746833) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID62746833
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(COC)n1
InChIInChI=1S/C10H17N3O/c1-3-5-11-7-9-4-6-12-10(13-9)8-14-2/h4,6,11H,3,5,7-8H2,1-2H3
InChIKeyJAYKGUKVOKXPGN-UHFFFAOYSA-N
XLogP1.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.12
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-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 62746833) is N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1ccnc(COC)n1.
What is the InChIKey of N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is JAYKGUKVOKXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-5-11-7-9-4-6-12-10(13-9)8-14-2/h4,6,11H,3,5,7-8H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62746833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).