5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C17H21ClN4O2 — CID 137291499

IUPAC5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)CC1CN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)9-13-10-22(7-8-24-13)16-14(18)17(23)21-15(20-16)12-3-5-19-6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,20,21,23)
InChIKeyBQTRXNQLNSCOGR-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.74
Rot. Bonds4

About 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137291499) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137291499
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)CC1CN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)9-13-10-22(7-8-24-13)16-14(18)17(23)21-15(20-16)12-3-5-19-6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,20,21,23)
InChIKeyBQTRXNQLNSCOGR-UHFFFAOYSA-N
XLogP2.74
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137291499) is 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is CC(C)CC1CN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CCO1.
What is the InChIKey of 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is BQTRXNQLNSCOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11(2)9-13-10-22(7-8-24-13)16-14(18)17(23)21-15(20-16)12-3-5-19-6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,20,21,23).
What are the key properties of 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 348.83 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137291499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).