6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide

C18H17N5O3 — CID 68896951

IUPAC6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(-c2c(OCCO)nc(-c3ncccn3)nc2C(N)=O)cc1
InChIInChI=1S/C18H17N5O3/c1-11-3-5-12(6-4-11)13-14(15(19)25)22-17(16-20-7-2-8-21-16)23-18(13)26-10-9-24/h2-8,24H,9-10H2,1H3,(H2,19,25)
InChIKeyFTXQJGZHMXMSMF-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.38
Rot. Bonds6

About 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide

6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide (PubChem CID 68896951) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
PubChem CID68896951
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(-c2c(OCCO)nc(-c3ncccn3)nc2C(N)=O)cc1
InChIInChI=1S/C18H17N5O3/c1-11-3-5-12(6-4-11)13-14(15(19)25)22-17(16-20-7-2-8-21-16)23-18(13)26-10-9-24/h2-8,24H,9-10H2,1H3,(H2,19,25)
InChIKeyFTXQJGZHMXMSMF-UHFFFAOYSA-N
XLogP1.38
TPSA124.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide (CID 68896951) is 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide is Cc1ccc(-c2c(OCCO)nc(-c3ncccn3)nc2C(N)=O)cc1.
What is the InChIKey of 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The InChIKey is FTXQJGZHMXMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-3-5-12(6-4-11)13-14(15(19)25)22-17(16-20-7-2-8-21-16)23-18(13)26-10-9-24/h2-8,24H,9-10H2,1H3,(H2,19,25).
What are the key properties of 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68896951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).