5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine

C9H13ClN4S — CID 106812004

IUPAC5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCC1CN(c2ncnc(N)c2Cl)CCS1
InChIInChI=1S/C9H13ClN4S/c1-6-4-14(2-3-15-6)9-7(10)8(11)12-5-13-9/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyDNWCMQPFIKZRTH-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine

5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine (PubChem CID 106812004) has the molecular formula C9H13ClN4S and a molecular weight of 244.75 g/mol. Its IUPAC name is 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine
PubChem CID106812004
Molecular FormulaC9H13ClN4S
Molecular Weight244.75 g/mol
Exact Mass244.05
IUPAC Name5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCC1CN(c2ncnc(N)c2Cl)CCS1
InChIInChI=1S/C9H13ClN4S/c1-6-4-14(2-3-15-6)9-7(10)8(11)12-5-13-9/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyDNWCMQPFIKZRTH-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyrimidin-4-amine
CID 106811734
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106811990
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 106812177
4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine
CID 107373569
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
N-[[4-(2-methylthiomorpholin-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216558
2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 131132017
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
CID 56806367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine (CID 106812004) is 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine is CC1CN(c2ncnc(N)c2Cl)CCS1.
What is the InChIKey of 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is DNWCMQPFIKZRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4S/c1-6-4-14(2-3-15-6)9-7(10)8(11)12-5-13-9/h5-6H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine?
5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 244.75 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106812004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).