2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C13H20N8 — CID 106041375

IUPAC2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1c(CNc2nc(N)nc(N3CCCC3)n2)cnn1C
InChIInChI=1S/C13H20N8/c1-9-10(8-16-20(9)2)7-15-12-17-11(14)18-13(19-12)21-5-3-4-6-21/h8H,3-7H2,1-2H3,(H3,14,15,17,18,19)
InChIKeyDEDCDGWWWHZTQB-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.71
Rot. Bonds4

About 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106041375) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106041375
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1c(CNc2nc(N)nc(N3CCCC3)n2)cnn1C
InChIInChI=1S/C13H20N8/c1-9-10(8-16-20(9)2)7-15-12-17-11(14)18-13(19-12)21-5-3-4-6-21/h8H,3-7H2,1-2H3,(H3,14,15,17,18,19)
InChIKeyDEDCDGWWWHZTQB-UHFFFAOYSA-N
XLogP0.71
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411701
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 106041375) is 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Cc1c(CNc2nc(N)nc(N3CCCC3)n2)cnn1C.
What is the InChIKey of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DEDCDGWWWHZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-9-10(8-16-20(9)2)7-15-12-17-11(14)18-13(19-12)21-5-3-4-6-21/h8H,3-7H2,1-2H3,(H3,14,15,17,18,19).
What are the key properties of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106041375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).