2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine

C12H21N3O2 — CID 113401645

IUPAC2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC)nc(COC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-13-10-8-12(17-7-5-2)15-11(14-10)9-16-3/h8H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyPCYLKKZZZGLZSG-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.23
Rot. Bonds8

About 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine

2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine (PubChem CID 113401645) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
PubChem CID113401645
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC)nc(COC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-13-10-8-12(17-7-5-2)15-11(14-10)9-16-3/h8H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyPCYLKKZZZGLZSG-UHFFFAOYSA-N
XLogP2.23
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456727
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine (CID 113401645) is 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine is CCCNc1cc(OCCC)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine?
The InChIKey is PCYLKKZZZGLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-13-10-8-12(17-7-5-2)15-11(14-10)9-16-3/h8H,4-7,9H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine?
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 113401645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).