5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C21H26N6O — CID 117081084

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1cnc(-c2c(C)nn(C)c2C)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N6O/c1-14-13-22-21(19-15(2)25-26(4)16(19)3)24-20(14)23-17-5-7-18(8-6-17)27-9-11-28-12-10-27/h5-8,13H,9-12H2,1-4H3,(H,22,23,24)
InChIKeyYVMHXJDRTMKBHH-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.38
Rot. Bonds4

About 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 117081084) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID117081084
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1cnc(-c2c(C)nn(C)c2C)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N6O/c1-14-13-22-21(19-15(2)25-26(4)16(19)3)24-20(14)23-17-5-7-18(8-6-17)27-9-11-28-12-10-27/h5-8,13H,9-12H2,1-4H3,(H,22,23,24)
InChIKeyYVMHXJDRTMKBHH-UHFFFAOYSA-N
XLogP3.38
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117081075
N-(4-morpholin-4-ylphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117080531
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081943
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
4-chloro-3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenol
CID 155565534
N-hydroxy-3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxamide
CID 168866708
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 118889554
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
1-[3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 117081084) is 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is Cc1cnc(-c2c(C)nn(C)c2C)nc1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is YVMHXJDRTMKBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-13-22-21(19-15(2)25-26(4)16(19)3)24-20(14)23-17-5-7-18(8-6-17)27-9-11-28-12-10-27/h5-8,13H,9-12H2,1-4H3,(H,22,23,24).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 117081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).