4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C21H24N6S — CID 145104009

IUPAC4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCN(CCc1ccccc1)c1cccc(-c2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C21H24N6S/c1-27(14-11-16-7-3-2-4-8-16)19-10-5-9-17(24-19)18-15-28-21(25-18)26-20-22-12-6-13-23-20/h2-5,7-10,15H,6,11-14H2,1H3,(H2,22,23,25,26)
InChIKeyDZJNIAKZLBUMRG-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.65
Rot. Bonds6

About 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104009) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104009
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCN(CCc1ccccc1)c1cccc(-c2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C21H24N6S/c1-27(14-11-16-7-3-2-4-8-16)19-10-5-9-17(24-19)18-15-28-21(25-18)26-20-22-12-6-13-23-20/h2-5,7-10,15H,6,11-14H2,1H3,(H2,22,23,25,26)
InChIKeyDZJNIAKZLBUMRG-UHFFFAOYSA-N
XLogP3.65
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104830
4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104831
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
4-[6-(2-methyl-2-phenylmorpholin-4-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105122
4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105067
3-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrimidin-2-yl]benzonitrile
CID 145104275
tert-butyl 3-[6-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-2-pyridinyl]benzoate
CID 145104888
4-[6-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104104
4-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104207
4-[2-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183

Frequently Asked Questions

What is the IUPAC name of 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104009) is 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is CN(CCc1ccccc1)c1cccc(-c2csc(NC3=NCCCN3)n2)n1.
What is the InChIKey of 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is DZJNIAKZLBUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S/c1-27(14-11-16-7-3-2-4-8-16)19-10-5-9-17(24-19)18-15-28-21(25-18)26-20-22-12-6-13-23-20/h2-5,7-10,15H,6,11-14H2,1H3,(H2,22,23,25,26).
What are the key properties of 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 392.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).