2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C20H25N5OS — CID 137273700

IUPAC2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCCc3csc(C(C)(C)C)n3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H25N5OS/c1-12-13(2)23-17(25-18(12)26)14-6-7-16(22-10-14)21-9-8-15-11-27-19(24-15)20(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,21,22)(H,23,25,26)
InChIKeyMEQWHXJCBYOXQU-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.86
Rot. Bonds5

About 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137273700) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137273700
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCCc3csc(C(C)(C)C)n3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H25N5OS/c1-12-13(2)23-17(25-18(12)26)14-6-7-16(22-10-14)21-9-8-15-11-27-19(24-15)20(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,21,22)(H,23,25,26)
InChIKeyMEQWHXJCBYOXQU-UHFFFAOYSA-N
XLogP3.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-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

4,5-dimethyl-2-[6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137274914
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273786
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
2-[6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268895
2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137261742
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137262944
4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 137274775
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137273700) is 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCCc3csc(C(C)(C)C)n3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is MEQWHXJCBYOXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-12-13(2)23-17(25-18(12)26)14-6-7-16(22-10-14)21-9-8-15-11-27-19(24-15)20(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,21,22)(H,23,25,26).
What are the key properties of 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 383.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137273700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).