acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine

C23H30N6O — CID 144538325

IUPACacetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine
SMILESC#C.Cc1cc(CNc2cc(OCC3CC3)nc(C)n2)n(C)n1.Cc1cccnc1
InChIInChI=1S/C15H21N5O.C6H7N.C2H2/c1-10-6-13(20(3)19-10)8-16-14-7-15(18-11(2)17-14)21-9-12-4-5-12;1-6-3-2-4-7-5-6;1-2/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18);2-5H,1H3;1-2H
InChIKeyWDJIBNVIJCKLDK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.87
Rot. Bonds6

About acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine

acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine (PubChem CID 144538325) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine.

Molecular Properties

Compound Nameacetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine
PubChem CID144538325
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Nameacetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine
SMILESC#C.Cc1cc(CNc2cc(OCC3CC3)nc(C)n2)n(C)n1.Cc1cccnc1
InChIInChI=1S/C15H21N5O.C6H7N.C2H2/c1-10-6-13(20(3)19-10)8-16-14-7-15(18-11(2)17-14)21-9-12-4-5-12;1-6-3-2-4-7-5-6;1-2/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18);2-5H,1H3;1-2H
InChIKeyWDJIBNVIJCKLDK-UHFFFAOYSA-N
XLogP3.87
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine?
The IUPAC name of acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine (CID 144538325) is acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine.
What is the SMILES notation for acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine?
The canonical SMILES for acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine is C#C.Cc1cc(CNc2cc(OCC3CC3)nc(C)n2)n(C)n1.Cc1cccnc1.
What is the InChIKey of acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine?
The InChIKey is WDJIBNVIJCKLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.C6H7N.C2H2/c1-10-6-13(20(3)19-10)8-16-14-7-15(18-11(2)17-14)21-9-12-4-5-12;1-6-3-2-4-7-5-6;1-2/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18);2-5H,1H3;1-2H.
What are the key properties of acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine?
acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine has a molecular weight of 406.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine is sourced from PubChem (CID 144538325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).