6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine

C15H23N5O — CID 79224387

IUPAC6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCCCOc1nc(NCc2c(C)nn(C)c2C)ccc1N
InChIInChI=1S/C15H23N5O/c1-5-8-21-15-13(16)6-7-14(18-15)17-9-12-10(2)19-20(4)11(12)3/h6-7H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyLBPOUFNBKKSKGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.42
Rot. Bonds6

About 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine

6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 79224387) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
PubChem CID79224387
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCCCOc1nc(NCc2c(C)nn(C)c2C)ccc1N
InChIInChI=1S/C15H23N5O/c1-5-8-21-15-13(16)6-7-14(18-15)17-9-12-10(2)19-20(4)11(12)3/h6-7H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyLBPOUFNBKKSKGG-UHFFFAOYSA-N
XLogP2.42
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
CID 115989138
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
CID 43261097
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 78990644

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine (CID 79224387) is 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine is CCCOc1nc(NCc2c(C)nn(C)c2C)ccc1N.
What is the InChIKey of 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is LBPOUFNBKKSKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-8-21-15-13(16)6-7-14(18-15)17-9-12-10(2)19-20(4)11(12)3/h6-7H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 289.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 79224387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).