5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine

C19H23N5OS — CID 143742055

IUPAC5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)cc(C3(SC4CC4)CC3)n2)cn1
InChIInChI=1S/C19H23N5OS/c20-16-4-1-13(12-21-16)18-22-15(19(5-6-19)26-14-2-3-14)11-17(23-18)24-7-9-25-10-8-24/h1,4,11-12,14H,2-3,5-10H2,(H2,20,21)
InChIKeyCBIMXLASWLKCJT-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.84
Rot. Bonds5

About 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine

5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine (PubChem CID 143742055) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine
PubChem CID143742055
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)cc(C3(SC4CC4)CC3)n2)cn1
InChIInChI=1S/C19H23N5OS/c20-16-4-1-13(12-21-16)18-22-15(19(5-6-19)26-14-2-3-14)11-17(23-18)24-7-9-25-10-8-24/h1,4,11-12,14H,2-3,5-10H2,(H2,20,21)
InChIKeyCBIMXLASWLKCJT-UHFFFAOYSA-N
XLogP2.84
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-(1-cyclopropylsulfanylcyclopentyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(3-hydroxypropyl)urea
CID 143741410
4-[4-[1-(2,4-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741509
4-[2-(3,4-dimethylphenyl)-6-(1-methylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine;ethane
CID 143741449
4-[4-morpholin-4-yl-6-(1-pyridin-4-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
CID 143741656
4-[4-[1-(3-chloro-4-fluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741649
1-[5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea
CID 145134429
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
N-methyl-4-[4-morpholin-4-yl-6-(1-pyridin-2-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
CID 143741508
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine
CID 73427140

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine (CID 143742055) is 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine is Nc1ccc(-c2nc(N3CCOCC3)cc(C3(SC4CC4)CC3)n2)cn1.
What is the InChIKey of 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine?
The InChIKey is CBIMXLASWLKCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c20-16-4-1-13(12-21-16)18-22-15(19(5-6-19)26-14-2-3-14)11-17(23-18)24-7-9-25-10-8-24/h1,4,11-12,14H,2-3,5-10H2,(H2,20,21).
What are the key properties of 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine?
5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine has a molecular weight of 369.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 143742055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).