4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C20H23N5OS — CID 137273710

IUPAC4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCCc3nc4c(s3)CCCC4)nc2)n1
InChIInChI=1S/C20H23N5OS/c1-2-14-11-18(26)25-20(23-14)13-7-8-17(22-12-13)21-10-9-19-24-15-5-3-4-6-16(15)27-19/h7-8,11-12H,2-6,9-10H2,1H3,(H,21,22)(H,23,25,26)
InChIKeySKWYGYUOXRTJPN-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.38
Rot. Bonds6

About 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137273710) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137273710
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCCc3nc4c(s3)CCCC4)nc2)n1
InChIInChI=1S/C20H23N5OS/c1-2-14-11-18(26)25-20(23-14)13-7-8-17(22-12-13)21-10-9-19-24-15-5-3-4-6-16(15)27-19/h7-8,11-12H,2-6,9-10H2,1H3,(H,21,22)(H,23,25,26)
InChIKeySKWYGYUOXRTJPN-UHFFFAOYSA-N
XLogP3.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
2-[6-[3-(3-bromophenyl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268367
4-ethyl-2-[6-[(3-hydroxy-3-phenylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267445
2-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137272392
2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186
2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137265053

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137273710) is 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NCCc3nc4c(s3)CCCC4)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is SKWYGYUOXRTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-14-11-18(26)25-20(23-14)13-7-8-17(22-12-13)21-10-9-19-24-15-5-3-4-6-16(15)27-19/h7-8,11-12H,2-6,9-10H2,1H3,(H,21,22)(H,23,25,26).
What are the key properties of 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 381.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137273710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).