2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine

C17H26N6O — CID 154738210

IUPAC2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNc1ccc(N(C)C)cn1
InChIInChI=1S/C17H26N6O/c1-13-15(12-19-16-6-5-14(11-18-16)21(2)3)17(22(4)20-13)23-7-9-24-10-8-23/h5-6,11H,7-10,12H2,1-4H3,(H,18,19)
InChIKeyYLPKXOZWXJEJLN-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.64
Rot. Bonds5

About 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine

2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine (PubChem CID 154738210) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine
PubChem CID154738210
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNc1ccc(N(C)C)cn1
InChIInChI=1S/C17H26N6O/c1-13-15(12-19-16-6-5-14(11-18-16)21(2)3)17(22(4)20-13)23-7-9-24-10-8-23/h5-6,11H,7-10,12H2,1-4H3,(H,18,19)
InChIKeyYLPKXOZWXJEJLN-UHFFFAOYSA-N
XLogP1.64
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine (CID 154738210) is 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine is Cc1nn(C)c(N2CCOCC2)c1CNc1ccc(N(C)C)cn1.
What is the InChIKey of 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine?
The InChIKey is YLPKXOZWXJEJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-15(12-19-16-6-5-14(11-18-16)21(2)3)17(22(4)20-13)23-7-9-24-10-8-23/h5-6,11H,7-10,12H2,1-4H3,(H,18,19).
What are the key properties of 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine?
2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine has a molecular weight of 330.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 154738210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).