N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine

C15H18N6S — CID 136559645

IUPACN-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2csc(-c3ccn(C)n3)n2)ncn1
InChIInChI=1S/C15H18N6S/c1-10(2)13-6-14(18-9-17-13)16-7-11-8-22-15(19-11)12-4-5-21(3)20-12/h4-6,8-10H,7H2,1-3H3,(H,16,17,18)
InChIKeyZPKCKNUXBNNFSL-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine

N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 136559645) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID136559645
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC NameN-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2csc(-c3ccn(C)n3)n2)ncn1
InChIInChI=1S/C15H18N6S/c1-10(2)13-6-14(18-9-17-13)16-7-11-8-22-15(19-11)12-4-5-21(3)20-12/h4-6,8-10H,7H2,1-3H3,(H,16,17,18)
InChIKeyZPKCKNUXBNNFSL-UHFFFAOYSA-N
XLogP3.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine (CID 136559645) is N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCc2csc(-c3ccn(C)n3)n2)ncn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZPKCKNUXBNNFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-10(2)13-6-14(18-9-17-13)16-7-11-8-22-15(19-11)12-4-5-21(3)20-12/h4-6,8-10H,7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 314.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 136559645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).