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

C13H24N6O — CID 115366480

IUPAC2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCNc1nc(NCC(C)(C)CO)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-13(2,9-20)8-15-11-16-10(14-3)17-12(18-11)19-6-4-5-7-19/h20H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyKPWYQHZGEWSAFD-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.94
Rot. Bonds6

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

2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 115366480) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID115366480
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCNc1nc(NCC(C)(C)CO)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-13(2,9-20)8-15-11-16-10(14-3)17-12(18-11)19-6-4-5-7-19/h20H,4-9H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyKPWYQHZGEWSAFD-UHFFFAOYSA-N
XLogP0.94
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80833190
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-3-methylsulfanylpropan-2-ol
CID 106248906
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 115366480) is 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol is CNc1nc(NCC(C)(C)CO)nc(N2CCCC2)n1.
What is the InChIKey of 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is KPWYQHZGEWSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-13(2,9-20)8-15-11-16-10(14-3)17-12(18-11)19-6-4-5-7-19/h20H,4-9H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 115366480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).