6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C10H16ClN3OS — CID 80546845

IUPAC6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOCCCN(C)c1cc(Cl)nc(SC)n1
InChIInChI=1S/C10H16ClN3OS/c1-14(5-4-6-15-2)9-7-8(11)12-10(13-9)16-3/h7H,4-6H2,1-3H3
InChIKeyWESBTCWZTAHTLJ-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.32
Rot. Bonds6

About 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80546845) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80546845
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOCCCN(C)c1cc(Cl)nc(SC)n1
InChIInChI=1S/C10H16ClN3OS/c1-14(5-4-6-15-2)9-7-8(11)12-10(13-9)16-3/h7H,4-6H2,1-3H3
InChIKeyWESBTCWZTAHTLJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80546845) is 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is COCCCN(C)c1cc(Cl)nc(SC)n1.
What is the InChIKey of 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is WESBTCWZTAHTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-14(5-4-6-15-2)9-7-8(11)12-10(13-9)16-3/h7H,4-6H2,1-3H3.
What are the key properties of 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 261.78 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80546845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).