2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine

C13H16N6O2 — CID 175657256

IUPAC2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2c2ccncn2)n1
InChIInChI=1S/C13H16N6O2/c1-20-12-16-11(17-13(18-12)21-2)19-7-3-4-10(19)9-5-6-14-8-15-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyKKVFEJONFCDLEX-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.02
Rot. Bonds4

About 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine

2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 175657256) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine
PubChem CID175657256
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2c2ccncn2)n1
InChIInChI=1S/C13H16N6O2/c1-20-12-16-11(17-13(18-12)21-2)19-7-3-4-10(19)9-5-6-14-8-15-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyKKVFEJONFCDLEX-UHFFFAOYSA-N
XLogP1.02
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine 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

4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
CID 124970255
2-[2-[5-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 110091071
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
CID 124865996
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63390254
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
CID 110114762
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-(2-methoxyethoxy)-2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 174514379
4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 125000486
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine (CID 175657256) is 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine is COc1nc(OC)nc(N2CCCC2c2ccncn2)n1.
What is the InChIKey of 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is KKVFEJONFCDLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-20-12-16-11(17-13(18-12)21-2)19-7-3-4-10(19)9-5-6-14-8-15-9/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine?
2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 288.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 175657256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).