N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline

C24H27N5OS — CID 143741508

IUPACN-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
SMILESCNc1ccc(-c2nc(N3CCOCC3)cc(C3(Sc4ccccn4)CCC3)n2)cc1
InChIInChI=1S/C24H27N5OS/c1-25-19-8-6-18(7-9-19)23-27-20(17-21(28-23)29-13-15-30-16-14-29)24(10-4-11-24)31-22-5-2-3-12-26-22/h2-3,5-9,12,17,25H,4,10-11,13-16H2,1H3
InChIKeyCAUWIHOJLLDRHF-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.59
Rot. Bonds6

About N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline

N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline (PubChem CID 143741508) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
PubChem CID143741508
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
SMILESCNc1ccc(-c2nc(N3CCOCC3)cc(C3(Sc4ccccn4)CCC3)n2)cc1
InChIInChI=1S/C24H27N5OS/c1-25-19-8-6-18(7-9-19)23-27-20(17-21(28-23)29-13-15-30-16-14-29)24(10-4-11-24)31-22-5-2-3-12-26-22/h2-3,5-9,12,17,25H,4,10-11,13-16H2,1H3
InChIKeyCAUWIHOJLLDRHF-UHFFFAOYSA-N
XLogP4.59
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-morpholin-4-yl-6-(1-pyridin-4-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
CID 143741656
1-[4-[4-[1-(2,5-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-methylurea
CID 143741386
4-[4-morpholin-4-yl-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]aniline
CID 143633228
4-[2-(3,4-dimethylphenyl)-6-(1-methylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine;ethane
CID 143741449
4-[4-[1-(3-chloro-4-fluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741649
4-[4-[1-(2,4-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741509
1-(2-hydroxyethyl)-3-[4-[4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]thiourea
CID 143741721
1-methyl-3-[4-[4-[1-(morpholine-4-carbonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143741375
1-[4-[4-(1-cyclopropylsulfanylcyclopentyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(3-hydroxypropyl)urea
CID 143741410
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine
CID 143742055

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline?
The IUPAC name of N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline (CID 143741508) is N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline.
What is the SMILES notation for N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline?
The canonical SMILES for N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline is CNc1ccc(-c2nc(N3CCOCC3)cc(C3(Sc4ccccn4)CCC3)n2)cc1.
What is the InChIKey of N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline?
The InChIKey is CAUWIHOJLLDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-25-19-8-6-18(7-9-19)23-27-20(17-21(28-23)29-13-15-30-16-14-29)24(10-4-11-24)31-22-5-2-3-12-26-22/h2-3,5-9,12,17,25H,4,10-11,13-16H2,1H3.
What are the key properties of N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline?
N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline has a molecular weight of 433.58 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline is sourced from PubChem (CID 143741508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).