2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C19H19ClN4O2 — CID 137257636

IUPAC2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(CO)c3ccc(Cl)cc3)nc2)n1
InChIInChI=1S/C19H19ClN4O2/c1-2-15-9-18(26)24-19(22-15)13-5-8-17(21-10-13)23-16(11-25)12-3-6-14(20)7-4-12/h3-10,16,25H,2,11H2,1H3,(H,21,23)(H,22,24,26)
InChIKeyQZSRBDDFLSGTCF-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.19
Rot. Bonds6

About 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137257636) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137257636
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(CO)c3ccc(Cl)cc3)nc2)n1
InChIInChI=1S/C19H19ClN4O2/c1-2-15-9-18(26)24-19(22-15)13-5-8-17(21-10-13)23-16(11-25)12-3-6-14(20)7-4-12/h3-10,16,25H,2,11H2,1H3,(H,21,23)(H,22,24,26)
InChIKeyQZSRBDDFLSGTCF-UHFFFAOYSA-N
XLogP3.19
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137257636) is 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC(CO)c3ccc(Cl)cc3)nc2)n1.
What is the InChIKey of 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is QZSRBDDFLSGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-15-9-18(26)24-19(22-15)13-5-8-17(21-10-13)23-16(11-25)12-3-6-14(20)7-4-12/h3-10,16,25H,2,11H2,1H3,(H,21,23)(H,22,24,26).
What are the key properties of 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 370.84 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137257636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).