N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine

C13H23N3O2 — CID 82456662

IUPACN-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
SMILESCCCCNc1cc(OCCC)nc(COC)n1
InChIInChI=1S/C13H23N3O2/c1-4-6-7-14-11-9-13(18-8-5-2)16-12(15-11)10-17-3/h9H,4-8,10H2,1-3H3,(H,14,15,16)
InChIKeyDJYFBGDMOQLWEI-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.62
Rot. Bonds9

About N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine

N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine (PubChem CID 82456662) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
PubChem CID82456662
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
SMILESCCCCNc1cc(OCCC)nc(COC)n1
InChIInChI=1S/C13H23N3O2/c1-4-6-7-14-11-9-13(18-8-5-2)16-12(15-11)10-17-3/h9H,4-8,10H2,1-3H3,(H,14,15,16)
InChIKeyDJYFBGDMOQLWEI-UHFFFAOYSA-N
XLogP2.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82456613
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 82456706
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-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine (CID 82456662) is N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine is CCCCNc1cc(OCCC)nc(COC)n1.
What is the InChIKey of N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine?
The InChIKey is DJYFBGDMOQLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-7-14-11-9-13(18-8-5-2)16-12(15-11)10-17-3/h9H,4-8,10H2,1-3H3,(H,14,15,16).
What are the key properties of N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine?
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82456662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).