6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

C22H29N7 — CID 86342130

IUPAC6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCN(Cc4cc(C)nn4C)C3)nc(C)n2)c1
InChIInChI=1S/C22H29N7/c1-15-7-8-23-21(10-15)26-22-12-20(24-17(3)25-22)18-6-5-9-29(13-18)14-19-11-16(2)27-28(19)4/h7-8,10-12,18H,5-6,9,13-14H2,1-4H3,(H,23,24,25,26)
InChIKeyHADHYBXUBXGPJJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.65
Rot. Bonds5

About 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 86342130) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID86342130
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCN(Cc4cc(C)nn4C)C3)nc(C)n2)c1
InChIInChI=1S/C22H29N7/c1-15-7-8-23-21(10-15)26-22-12-20(24-17(3)25-22)18-6-5-9-29(13-18)14-19-11-16(2)27-28(19)4/h7-8,10-12,18H,5-6,9,13-14H2,1-4H3,(H,23,24,25,26)
InChIKeyHADHYBXUBXGPJJ-UHFFFAOYSA-N
XLogP3.65
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (CID 86342130) is 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1ccnc(Nc2cc(C3CCCN(Cc4cc(C)nn4C)C3)nc(C)n2)c1.
What is the InChIKey of 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is HADHYBXUBXGPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-15-7-8-23-21(10-15)26-22-12-20(24-17(3)25-22)18-6-5-9-29(13-18)14-19-11-16(2)27-28(19)4/h7-8,10-12,18H,5-6,9,13-14H2,1-4H3,(H,23,24,25,26).
What are the key properties of 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 86342130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).