6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C10H12ClN5S — CID 106214382

IUPAC6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C10H12ClN5S/c1-6(7-4-12-13-5-7)14-9-3-8(11)15-10(16-9)17-2/h3-6H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyHJBJNHPXHAUAEF-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.75
Rot. Bonds4

About 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 106214382) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID106214382
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC Name6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C10H12ClN5S/c1-6(7-4-12-13-5-7)14-9-3-8(11)15-10(16-9)17-2/h3-6H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyHJBJNHPXHAUAEF-UHFFFAOYSA-N
XLogP2.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80545517
6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 114159167
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 112724557
6-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,6-diamine
CID 106215688
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazin-3-amine
CID 106214067
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217068
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214361

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 106214382) is 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is CSc1nc(Cl)cc(NC(C)c2cn[nH]c2)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is HJBJNHPXHAUAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-6(7-4-12-13-5-7)14-9-3-8(11)15-10(16-9)17-2/h3-6H,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106214382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).