2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine

C15H21N5 — CID 124942782

IUPAC2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
SMILESCc1nc(-c2cc(C)[nH]n2)cc([C@@H]2CCCN(C)C2)n1
InChIInChI=1S/C15H21N5/c1-10-7-15(19-18-10)14-8-13(16-11(2)17-14)12-5-4-6-20(3)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyAXVASQYIWWRRGM-GFCCVEGCSA-N
MW271.37 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine

2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine (PubChem CID 124942782) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
PubChem CID124942782
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
SMILESCc1nc(-c2cc(C)[nH]n2)cc([C@@H]2CCCN(C)C2)n1
InChIInChI=1S/C15H21N5/c1-10-7-15(19-18-10)14-8-13(16-11(2)17-14)12-5-4-6-20(3)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyAXVASQYIWWRRGM-GFCCVEGCSA-N
XLogP2.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The IUPAC name of 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine (CID 124942782) is 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine is Cc1nc(-c2cc(C)[nH]n2)cc([C@@H]2CCCN(C)C2)n1.
What is the InChIKey of 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The InChIKey is AXVASQYIWWRRGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-7-15(19-18-10)14-8-13(16-11(2)17-14)12-5-4-6-20(3)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine is sourced from PubChem (CID 124942782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).