3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide

C19H27N5O2 — CID 176503263

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide
SMILESCc1cnn(C2CCC(NC(=O)CCc3c(C)nc(=O)[nH]c3C)CC2)c1
InChIInChI=1S/C19H27N5O2/c1-12-10-20-24(11-12)16-6-4-15(5-7-16)23-18(25)9-8-17-13(2)21-19(26)22-14(17)3/h10-11,15-16H,4-9H2,1-3H3,(H,23,25)(H,21,22,26)
InChIKeyFIYYJJUZKBBLNS-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.12
Rot. Bonds5

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide (PubChem CID 176503263) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide
PubChem CID176503263
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide
SMILESCc1cnn(C2CCC(NC(=O)CCc3c(C)nc(=O)[nH]c3C)CC2)c1
InChIInChI=1S/C19H27N5O2/c1-12-10-20-24(11-12)16-6-4-15(5-7-16)23-18(25)9-8-17-13(2)21-19(26)22-14(17)3/h10-11,15-16H,4-9H2,1-3H3,(H,23,25)(H,21,22,26)
InChIKeyFIYYJJUZKBBLNS-UHFFFAOYSA-N
XLogP2.12
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide (CID 176503263) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide is Cc1cnn(C2CCC(NC(=O)CCc3c(C)nc(=O)[nH]c3C)CC2)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide?
The InChIKey is FIYYJJUZKBBLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-10-20-24(11-12)16-6-4-15(5-7-16)23-18(25)9-8-17-13(2)21-19(26)22-14(17)3/h10-11,15-16H,4-9H2,1-3H3,(H,23,25)(H,21,22,26).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[4-(4-methylpyrazol-1-yl)cyclohexyl]propanamide is sourced from PubChem (CID 176503263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).