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

C20H24N6O3S2 — CID 11510921

IUPACN,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1
InChIInChI=1S/C20H24N6O3S2/c1-13-4-5-15(12-17(13)31(27,28)26-8-10-29-11-9-26)24-19-22-7-6-16(25-19)18-14(2)23-20(21-3)30-18/h4-7,12H,8-11H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyNNMRZPOMVQNXMS-UHFFFAOYSA-N
MW460.59 g/mol
LogP3.02
Rot. Bonds6

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

N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11510921) has the molecular formula C20H24N6O3S2 and a molecular weight of 460.59 g/mol. Its IUPAC name is N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID11510921
Molecular FormulaC20H24N6O3S2
Molecular Weight460.59 g/mol
Exact Mass460.14
IUPAC NameN,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1
InChIInChI=1S/C20H24N6O3S2/c1-13-4-5-15(12-17(13)31(27,28)26-8-10-29-11-9-26)24-19-22-7-6-16(25-19)18-14(2)23-20(21-3)30-18/h4-7,12H,8-11H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyNNMRZPOMVQNXMS-UHFFFAOYSA-N
XLogP3.02
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Cyc-116
CID 6420138
Asnuciclib
CID 71561915
CDK Inhibitor, 6
CID 11595939
CDK Inhibitor, 3
CID 11675224
4-(4-Methyl-2-(methylamino)thiazol-5-yl)-2-(4-methyl-3-(morpholinosulfonyl)phenylamino)pyrimidine-5-carbonitrile
CID 44224280
3-(5-Cyano-4-(4-methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 44253325
2,6-Bis(Fluoranyl)-N-[3-[5-[2-[(3-Methylsulfonylphenyl)amino]pyrimidin-4-Yl]-2-Morpholin-4-Yl-1,3-Thiazol-4-Yl]phenyl]benzenesulfonamide
CID 91971264
CDK Inhibitor, 7
CID 11682552
CDK Inhibitor, 4
CID 11560195
[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-methyl-3-(morpholine-4-sulfonyl)-phenyl]-amine
CID 11640878
CDK Inhibitor, 8
CID 11661098
3-[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-ylamino]-N-methyl-benzenesulfonamide
CID 11689352

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 11510921) is N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is CNc1nc(C)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1.
What is the InChIKey of N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is NNMRZPOMVQNXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S2/c1-13-4-5-15(12-17(13)31(27,28)26-8-10-29-11-9-26)24-19-22-7-6-16(25-19)18-14(2)23-20(21-3)30-18/h4-7,12H,8-11H2,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 460.59 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11510921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).