4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine

C18H18N6S — CID 67983858

IUPAC4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
SMILESCSc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H18N6S/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
InChIKeyYGHCWGPCTHQCJR-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.75
Rot. Bonds6

About 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine

4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine (PubChem CID 67983858) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
PubChem CID67983858
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
SMILESCSc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H18N6S/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
InChIKeyYGHCWGPCTHQCJR-UHFFFAOYSA-N
XLogP3.75
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine (CID 67983858) is 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine is CSc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is YGHCWGPCTHQCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23).
What are the key properties of 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine?
4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 350.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 67983858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).