N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine

C12H21N3O2 — CID 112636619

IUPACN-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCCOC)n1
InChIInChI=1S/C12H21N3O2/c1-4-7-17-11-9-10(2)14-12(15-11)13-6-5-8-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyGRAIOUXBUDWQTL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.02
Rot. Bonds8

About N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine

N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 112636619) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID112636619
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCCOC)n1
InChIInChI=1S/C12H21N3O2/c1-4-7-17-11-9-10(2)14-12(15-11)13-6-5-8-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyGRAIOUXBUDWQTL-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 115974987
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
CID 103176501
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine (CID 112636619) is N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCCOC)n1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is GRAIOUXBUDWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-7-17-11-9-10(2)14-12(15-11)13-6-5-8-16-3/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine?
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112636619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).