4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane

C19H26ClN5OS — CID 145100381

IUPAC4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane
SMILESCC.CSC1(c2cc(-c3cnc(N)cc3Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H20ClN5OS.C2H6/c1-25-17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-24-7-5-23;1-2/h8-10H,2-7H2,1H3,(H2,19,20);1-2H3
InChIKeyKHROYHWALGZLQS-UHFFFAOYSA-N
MW407.97 g/mol
LogP3.99
Rot. Bonds4

About 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane

4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane (PubChem CID 145100381) has the molecular formula C19H26ClN5OS and a molecular weight of 407.97 g/mol. Its IUPAC name is 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane
PubChem CID145100381
Molecular FormulaC19H26ClN5OS
Molecular Weight407.97 g/mol
Exact Mass407.15
IUPAC Name4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane
SMILESCC.CSC1(c2cc(-c3cnc(N)cc3Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H20ClN5OS.C2H6/c1-25-17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-24-7-5-23;1-2/h8-10H,2-7H2,1H3,(H2,19,20);1-2H3
InChIKeyKHROYHWALGZLQS-UHFFFAOYSA-N
XLogP3.99
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-5-[6-[1-(methylsulfanylamino)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 146358785
4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine
CID 59507455
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
N-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-N-(2-fluorophenyl)hydroxylamine
CID 145100387
5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507894
1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine
CID 121428505
4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
CID 145100368
5-[6-(iodomethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
CID 89345233
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane?
The IUPAC name of 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane (CID 145100381) is 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane?
The canonical SMILES for 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane is CC.CSC1(c2cc(-c3cnc(N)cc3Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane?
The InChIKey is KHROYHWALGZLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5OS.C2H6/c1-25-17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-24-7-5-23;1-2/h8-10H,2-7H2,1H3,(H2,19,20);1-2H3.
What are the key properties of 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane?
4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane has a molecular weight of 407.97 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 145100381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).