3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol

C13H22N6O — CID 103358954

IUPAC3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCCC2)nc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C13H22N6O/c1-13(20)5-8-19(9-13)12-16-10(14-2)15-11(17-12)18-6-3-4-7-18/h20H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyPCDZFZGQTZGXOV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.47
Rot. Bonds3

About 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol

3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 103358954) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID103358954
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCCC2)nc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C13H22N6O/c1-13(20)5-8-19(9-13)12-16-10(14-2)15-11(17-12)18-6-3-4-7-18/h20H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyPCDZFZGQTZGXOV-UHFFFAOYSA-N
XLogP0.47
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409062
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409153
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
[4-(4,4-dimethylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80905338
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80854586
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
4-(4-iodopyrazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867983
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80823839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 103358954) is 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol is CNc1nc(N2CCCC2)nc(N2CCC(C)(O)C2)n1.
What is the InChIKey of 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is PCDZFZGQTZGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-13(20)5-8-19(9-13)12-16-10(14-2)15-11(17-12)18-6-3-4-7-18/h20H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 278.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103358954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).