N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C20H24N6OS — CID 164624460

IUPACN,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2C)s1
InChIInChI=1S/C20H24N6OS/c1-13-12-22-19(25-17(13)18-14(2)23-20(21-3)28-18)24-15-5-4-6-16(11-15)26-7-9-27-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyZIUVOODMQVKJEA-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.84
Rot. Bonds5

About N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 164624460) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID164624460
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2C)s1
InChIInChI=1S/C20H24N6OS/c1-13-12-22-19(25-17(13)18-14(2)23-20(21-3)28-18)24-15-5-4-6-16(11-15)26-7-9-27-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyZIUVOODMQVKJEA-UHFFFAOYSA-N
XLogP3.84
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

Cyc-116
CID 6420138
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
2-[[3-(4-Ethanoyl-1,4-Diazepan-1-Yl)phenyl]amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
CID 70680234
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35
CID 6539300
N'-[4-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N,N-Dimethylbenzene-1,4-Diamine
CID 6539304
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
CDK Inhibitor, 9
CID 11510921
4-(4-Methyl-2-(methylamino)thiazol-5-yl)-2-(4-methyl-3-(morpholinosulfonyl)phenylamino)pyrimidine-5-carbonitrile
CID 44224280
4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile
CID 44253188

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 164624460) is N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is CNc1nc(C)c(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2C)s1.
What is the InChIKey of N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ZIUVOODMQVKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-12-22-19(25-17(13)18-14(2)23-20(21-3)28-18)24-15-5-4-6-16(11-15)26-7-9-27-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 396.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164624460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).