6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine

C13H19N5 — CID 80816894

IUPAC6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-3-7-14-12-5-4-6-13(17-12)15-8-11-9-16-18(2)10-11/h4-6,9-10H,3,7-8H2,1-2H3,(H2,14,15,17)
InChIKeySPUBYMKHLYDITI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds6

About 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80816894) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80816894
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-3-7-14-12-5-4-6-13(17-12)15-8-11-9-16-18(2)10-11/h4-6,9-10H,3,7-8H2,1-2H3,(H2,14,15,17)
InChIKeySPUBYMKHLYDITI-UHFFFAOYSA-N
XLogP2.25
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79244019
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
8-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80795251
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158845
N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239806
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765
N-[(1-methylpyrazol-4-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78988402
5-chloro-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816474
6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
CID 122047981

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine (CID 80816894) is 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCc2cnn(C)c2)n1.
What is the InChIKey of 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is SPUBYMKHLYDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-7-14-12-5-4-6-13(17-12)15-8-11-9-16-18(2)10-11/h4-6,9-10H,3,7-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80816894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).