6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

C9H11N5S — CID 106972702

IUPAC6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCSc1cc(NCc2ccn[nH]2)ncn1
InChIInChI=1S/C9H11N5S/c1-15-9-4-8(11-6-12-9)10-5-7-2-3-13-14-7/h2-4,6H,5H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyJUEGBBDSPJQKAQ-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.53
Rot. Bonds4

About 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106972702) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106972702
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCSc1cc(NCc2ccn[nH]2)ncn1
InChIInChI=1S/C9H11N5S/c1-15-9-4-8(11-6-12-9)10-5-7-2-3-13-14-7/h2-4,6H,5H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyJUEGBBDSPJQKAQ-UHFFFAOYSA-N
XLogP1.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972962
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 106972638
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
N-(1H-pyrazol-5-ylmethyl)pyrazin-2-amine
CID 60966310
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 43662218
6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 106972699
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972704

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (CID 106972702) is 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is CSc1cc(NCc2ccn[nH]2)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is JUEGBBDSPJQKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-15-9-4-8(11-6-12-9)10-5-7-2-3-13-14-7/h2-4,6H,5H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 221.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106972702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).