5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine

C15H17ClN4O2 — CID 141139716

IUPAC5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)cn1
InChIInChI=1S/C15H17ClN4O2/c1-21-14-3-2-12(20-4-6-22-7-5-20)8-13(14)19-15-17-9-11(16)10-18-15/h2-3,8-10H,4-7H2,1H3,(H,17,18,19)
InChIKeyIQCHFDRFIXSRBE-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine

5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 141139716) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID141139716
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)cn1
InChIInChI=1S/C15H17ClN4O2/c1-21-14-3-2-12(20-4-6-22-7-5-20)8-13(14)19-15-17-9-11(16)10-18-15/h2-3,8-10H,4-7H2,1H3,(H,17,18,19)
InChIKeyIQCHFDRFIXSRBE-UHFFFAOYSA-N
XLogP2.72
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-amino-4-chloro-2-methoxyphenyl)-5-chloro-4-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 141427231
carbamoyl 2-[[5-chloro-2-(2-methoxy-5-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-3-carboxylate
CID 174997403
5-chloro-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidin-2-amine
CID 172810197
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
2-N-(5-amino-2-cyclopropylphenyl)-5-chloro-4-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 141427246
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
CID 11254914
N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine
CID 89255837
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 141139716) is 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine is COc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is IQCHFDRFIXSRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-21-14-3-2-12(20-4-6-22-7-5-20)8-13(14)19-15-17-9-11(16)10-18-15/h2-3,8-10H,4-7H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 320.78 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 141139716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).