N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C11H8N6S — CID 142712821

IUPACN-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1cnc(Nc2nccc(-c3nccs3)n2)nc1
InChIInChI=1S/C11H8N6S/c1-3-13-10(14-4-1)17-11-15-5-2-8(16-11)9-12-6-7-18-9/h1-7H,(H,13,14,15,16,17)
InChIKeyJMYKMSGMXMUCMB-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.13
Rot. Bonds3

About N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 142712821) has the molecular formula C11H8N6S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID142712821
Molecular FormulaC11H8N6S
Molecular Weight256.29 g/mol
Exact Mass256.05
IUPAC NameN-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1cnc(Nc2nccc(-c3nccs3)n2)nc1
InChIInChI=1S/C11H8N6S/c1-3-13-10(14-4-1)17-11-15-5-2-8(16-11)9-12-6-7-18-9/h1-7H,(H,13,14,15,16,17)
InChIKeyJMYKMSGMXMUCMB-UHFFFAOYSA-N
XLogP2.13
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 163691789
CID 163691789
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10157736
1-N-(3-nitrophenyl)-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine
CID 58932505
N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 67453733
N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292744
N-[3-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292069
N-[3-(4-methylsulfanylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10110093
N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10199490
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10134251
N-[3-(3-chlorophenoxy)-4-methoxyphenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10295065
4-[4-(hydroxymethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide
CID 59980730

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 142712821) is N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is c1cnc(Nc2nccc(-c3nccs3)n2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is JMYKMSGMXMUCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6S/c1-3-13-10(14-4-1)17-11-15-5-2-8(16-11)9-12-6-7-18-9/h1-7H,(H,13,14,15,16,17).
What are the key properties of N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 256.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 142712821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).