4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C18H19BrN4O — CID 144797225

IUPAC4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESC=Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1C(=C)Br
InChIInChI=1S/C18H19BrN4O/c1-3-14-12-20-18(22-17(14)13(2)19)21-15-4-6-16(7-5-15)23-8-10-24-11-9-23/h3-7,12H,1-2,8-11H2,(H,20,21,22)
InChIKeyFPIMFBXAIJRDQD-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.07
Rot. Bonds5

About 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 144797225) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID144797225
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESC=Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1C(=C)Br
InChIInChI=1S/C18H19BrN4O/c1-3-14-12-20-18(22-17(14)13(2)19)21-15-4-6-16(7-5-15)23-8-10-24-11-9-23/h3-7,12H,1-2,8-11H2,(H,20,21,22)
InChIKeyFPIMFBXAIJRDQD-UHFFFAOYSA-N
XLogP4.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(4E,6Z)-5-aminoocta-1,4,6-trien-2-yl]-5-ethenyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 144797292
1-[3-[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one
CID 147633581
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484
4-chloro-3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenol
CID 155565534
N-[3-[[5-methylsulfanyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 73438269
2-N-(4-morpholin-4-ylphenyl)-5-nitro-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 70648277
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
N-[2-[7-fluoro-2-(4-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118162939
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 144797225) is 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is C=Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1C(=C)Br.
What is the InChIKey of 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is FPIMFBXAIJRDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-3-14-12-20-18(22-17(14)13(2)19)21-15-4-6-16(7-5-15)23-8-10-24-11-9-23/h3-7,12H,1-2,8-11H2,(H,20,21,22).
What are the key properties of 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 387.28 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethenyl)-5-ethenyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 144797225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).