5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

C12H16N4O — CID 103341833

IUPAC5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc[nH]2)c1OC
InChIInChI=1S/C12H16N4O/c1-3-6-14-12-11(17-2)10(15-8-16-12)9-5-4-7-13-9/h4-5,7-8,13H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyXCCCCRJNFUUBOQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.30
Rot. Bonds5

About 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine (PubChem CID 103341833) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
PubChem CID103341833
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc[nH]2)c1OC
InChIInChI=1S/C12H16N4O/c1-3-6-14-12-11(17-2)10(15-8-16-12)9-5-4-7-13-9/h4-5,7-8,13H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyXCCCCRJNFUUBOQ-UHFFFAOYSA-N
XLogP2.30
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
CID 103341839
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
CID 106463748
6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine
CID 115504768
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 113464276
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303
N-[3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332310
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
CID 113324652
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
CID 113467587
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241876

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine (CID 103341833) is 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine is CCCNc1ncnc(-c2ccc[nH]2)c1OC.
What is the InChIKey of 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The InChIKey is XCCCCRJNFUUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-6-14-12-11(17-2)10(15-8-16-12)9-5-4-7-13-9/h4-5,7-8,13H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 103341833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).