6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine

C15H15N5S — CID 106715564

IUPAC6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(CSc3ccccc3)n2)cn1
InChIInChI=1S/C15H15N5S/c1-20-9-11(8-17-20)13-7-14(16)19-15(18-13)10-21-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeyBNCDNSNIDBBVDB-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.75
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine

6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 106715564) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
PubChem CID106715564
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(CSc3ccccc3)n2)cn1
InChIInChI=1S/C15H15N5S/c1-20-9-11(8-17-20)13-7-14(16)19-15(18-13)10-21-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeyBNCDNSNIDBBVDB-UHFFFAOYSA-N
XLogP2.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715725
2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine
CID 123397851
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
4-chloro-2-(cyclopentylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715370
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716130
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine (CID 106715564) is 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine is Cn1cc(-c2cc(N)nc(CSc3ccccc3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is BNCDNSNIDBBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-20-9-11(8-17-20)13-7-14(16)19-15(18-13)10-21-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,18,19).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 297.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106715564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).