N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide

C20H25N5O2 — CID 135752905

IUPACN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C20H25N5O2/c1-11-4-17(26)23-19(21-11)25-16(3-12(2)24-25)22-18(27)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,5-10H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyPUSHTGGMXHMJKP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.73
Rot. Bonds3

About N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide

N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide (PubChem CID 135752905) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
PubChem CID135752905
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C20H25N5O2/c1-11-4-17(26)23-19(21-11)25-16(3-12(2)24-25)22-18(27)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,5-10H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyPUSHTGGMXHMJKP-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide (CID 135752905) is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
The InChIKey is PUSHTGGMXHMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-11-4-17(26)23-19(21-11)25-16(3-12(2)24-25)22-18(27)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,5-10H2,1-2H3,(H,22,27)(H,21,23,26).
What are the key properties of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 135752905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).