5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

C16H20N6S — CID 46997444

IUPAC5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2csc(C(C)C)n2)nc1-c1cnn(C)c1
InChIInChI=1S/C16H20N6S/c1-10(2)15-20-13(9-23-15)7-18-16-17-5-11(3)14(21-16)12-6-19-22(4)8-12/h5-6,8-10H,7H2,1-4H3,(H,17,18,21)
InChIKeyAODNDRQKJDLSHY-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.38
Rot. Bonds5

About 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 46997444) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID46997444
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2csc(C(C)C)n2)nc1-c1cnn(C)c1
InChIInChI=1S/C16H20N6S/c1-10(2)15-20-13(9-23-15)7-18-16-17-5-11(3)14(21-16)12-6-19-22(4)8-12/h5-6,8-10H,7H2,1-4H3,(H,17,18,21)
InChIKeyAODNDRQKJDLSHY-UHFFFAOYSA-N
XLogP3.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Adx88178
CID 46836872
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
4-Chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164625583
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522311
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522312
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155533686
4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485376
4-Methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164614874

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (CID 46997444) is 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is Cc1cnc(NCc2csc(C(C)C)n2)nc1-c1cnn(C)c1.
What is the InChIKey of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is AODNDRQKJDLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-10(2)15-20-13(9-23-15)7-18-16-17-5-11(3)14(21-16)12-6-19-22(4)8-12/h5-6,8-10H,7H2,1-4H3,(H,17,18,21).
What are the key properties of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 328.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 46997444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).