4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline

C15H17ClN4O — CID 89181841

IUPAC4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
SMILESCc1c(Cl)nc(-c2ccc(N)cc2)nc1N1CCOCC1
InChIInChI=1S/C15H17ClN4O/c1-10-13(16)18-14(11-2-4-12(17)5-3-11)19-15(10)20-6-8-21-9-7-20/h2-5H,6-9,17H2,1H3
InChIKeyKDAOWVGSGXRWRK-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.52
Rot. Bonds2

About 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline

4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline (PubChem CID 89181841) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
PubChem CID89181841
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
SMILESCc1c(Cl)nc(-c2ccc(N)cc2)nc1N1CCOCC1
InChIInChI=1S/C15H17ClN4O/c1-10-13(16)18-14(11-2-4-12(17)5-3-11)19-15(10)20-6-8-21-9-7-20/h2-5H,6-9,17H2,1H3
InChIKeyKDAOWVGSGXRWRK-UHFFFAOYSA-N
XLogP2.52
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181960
1-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 89181843
1-(2-chloroethyl)-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181870
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453
4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
CID 46201892
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-ethylurea
CID 89181872
4-[6-chloro-2-[4-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 142765183
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 89181939
4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline
CID 145134799
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
4-[[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-fluorophenyl]carbamoylamino]benzamide
CID 89181968
4-(4-morpholin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)aniline
CID 155807823

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline?
The IUPAC name of 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline (CID 89181841) is 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline.
What is the SMILES notation for 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline?
The canonical SMILES for 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline is Cc1c(Cl)nc(-c2ccc(N)cc2)nc1N1CCOCC1.
What is the InChIKey of 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline?
The InChIKey is KDAOWVGSGXRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-13(16)18-14(11-2-4-12(17)5-3-11)19-15(10)20-6-8-21-9-7-20/h2-5H,6-9,17H2,1H3.
What are the key properties of 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline?
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline has a molecular weight of 304.78 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline is sourced from PubChem (CID 89181841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).