N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine

C14H23N5S — CID 71564412

IUPACN-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESc1cc(N2CCSCC2)nc(NCC2CCCNC2)n1
InChIInChI=1S/C14H23N5S/c1-2-12(10-15-4-1)11-17-14-16-5-3-13(18-14)19-6-8-20-9-7-19/h3,5,12,15H,1-2,4,6-11H2,(H,16,17,18)
InChIKeyVWGAGVVBQXAJJO-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.44
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine

N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 71564412) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID71564412
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESc1cc(N2CCSCC2)nc(NCC2CCCNC2)n1
InChIInChI=1S/C14H23N5S/c1-2-12(10-15-4-1)11-17-14-16-5-3-13(18-14)19-6-8-20-9-7-19/h3,5,12,15H,1-2,4,6-11H2,(H,16,17,18)
InChIKeyVWGAGVVBQXAJJO-UHFFFAOYSA-N
XLogP1.44
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 66908167
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
(1S,2S,4S)-4-amino-2-[[4-(1,4-diazepan-1-yl)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 167880237
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 71564412) is N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine is c1cc(N2CCSCC2)nc(NCC2CCCNC2)n1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is VWGAGVVBQXAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-2-12(10-15-4-1)11-17-14-16-5-3-13(18-14)19-6-8-20-9-7-19/h3,5,12,15H,1-2,4,6-11H2,(H,16,17,18).
What are the key properties of N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine?
N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 293.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71564412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).