6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine

C18H23ClN4S — CID 7435966

IUPAC6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine
SMILESCCN1CCC[C@@H]1CNc1nc(SC)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C18H23ClN4S/c1-3-23-11-7-10-14(23)12-20-17-15(13-8-5-4-6-9-13)16(19)21-18(22-17)24-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,20,21,22)/t14-/m1/s1
InChIKeyCMZHPEGUVYMYAE-CQSZACIVSA-N
MW362.93 g/mol
LogP4.42
Rot. Bonds6

About 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine

6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine (PubChem CID 7435966) has the molecular formula C18H23ClN4S and a molecular weight of 362.93 g/mol. Its IUPAC name is 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine
PubChem CID7435966
Molecular FormulaC18H23ClN4S
Molecular Weight362.93 g/mol
Exact Mass362.13
IUPAC Name6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine
SMILESCCN1CCC[C@@H]1CNc1nc(SC)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C18H23ClN4S/c1-3-23-11-7-10-14(23)12-20-17-15(13-8-5-4-6-9-13)16(19)21-18(22-17)24-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,20,21,22)/t14-/m1/s1
InChIKeyCMZHPEGUVYMYAE-CQSZACIVSA-N
XLogP4.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-phenylpyrazine-2-carbothioamide
CID 88823678
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193826
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
CID 59867538
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 95099026
2-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320516
2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 42641302
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine (CID 7435966) is 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine is CCN1CCC[C@@H]1CNc1nc(SC)nc(Cl)c1-c1ccccc1.
What is the InChIKey of 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine?
The InChIKey is CMZHPEGUVYMYAE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4S/c1-3-23-11-7-10-14(23)12-20-17-15(13-8-5-4-6-9-13)16(19)21-18(22-17)24-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine?
6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine has a molecular weight of 362.93 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine is sourced from PubChem (CID 7435966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).