4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

C19H17N7S — CID 56863565

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(NCc3csc(-c4ncccn4)n3)n2)c(C)n1
InChIInChI=1S/C19H17N7S/c1-12-4-5-15(13(2)24-12)16-6-9-22-19(26-16)23-10-14-11-27-18(25-14)17-20-7-3-8-21-17/h3-9,11H,10H2,1-2H3,(H,22,23,26)
InChIKeyZQYDUALFBPUIKL-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.68
Rot. Bonds5

About 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 56863565) has the molecular formula C19H17N7S and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID56863565
Molecular FormulaC19H17N7S
Molecular Weight375.46 g/mol
Exact Mass375.13
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(NCc3csc(-c4ncccn4)n3)n2)c(C)n1
InChIInChI=1S/C19H17N7S/c1-12-4-5-15(13(2)24-12)16-6-9-22-19(26-16)23-10-14-11-27-18(25-14)17-20-7-3-8-21-17/h3-9,11H,10H2,1-2H3,(H,22,23,26)
InChIKeyZQYDUALFBPUIKL-UHFFFAOYSA-N
XLogP3.68
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine 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-(2,6-dimethyl-3-pyridinyl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 56868663
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
CID 108775470
4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 95509786
4-(2,6-dimethyl-3-pyridinyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 56867973
N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
CID 56874148
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 108780015
4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine
CID 56861803
N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
CID 56872592
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine
CID 56877043
4-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 50962392
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (CID 56863565) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(NCc3csc(-c4ncccn4)n3)n2)c(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is ZQYDUALFBPUIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7S/c1-12-4-5-15(13(2)24-12)16-6-9-22-19(26-16)23-10-14-11-27-18(25-14)17-20-7-3-8-21-17/h3-9,11H,10H2,1-2H3,(H,22,23,26).
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 375.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56863565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).