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

C10H16ClN3OS — CID 106973714

IUPACN-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCOCC(Cl)CN(C)c1cc(SC)ncn1
InChIInChI=1S/C10H16ClN3OS/c1-14(5-8(11)6-15-2)9-4-10(16-3)13-7-12-9/h4,7-8H,5-6H2,1-3H3
InChIKeyJISYTCRTKVRIRU-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.89
Rot. Bonds6

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

N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106973714) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID106973714
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCOCC(Cl)CN(C)c1cc(SC)ncn1
InChIInChI=1S/C10H16ClN3OS/c1-14(5-8(11)6-15-2)9-4-10(16-3)13-7-12-9/h4,7-8H,5-6H2,1-3H3
InChIKeyJISYTCRTKVRIRU-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
CID 106505054
2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 106973458
4-N-(2-chloro-3-methoxypropyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64828548
N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106973802
N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55184952
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 103584084
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine
CID 106972381
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 63390234
N-(2-chloro-3-methoxypropyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65277691
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine (CID 106973714) is N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine is COCC(Cl)CN(C)c1cc(SC)ncn1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is JISYTCRTKVRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-14(5-8(11)6-15-2)9-4-10(16-3)13-7-12-9/h4,7-8H,5-6H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 261.78 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106973714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).