5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C24H29N7O — CID 117081943

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cnc(N2CCN(c3ccccn3)CC2)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29N7O/c1-19-18-26-24(31-12-10-30(11-13-31)22-4-2-3-9-25-22)28-23(19)27-20-5-7-21(8-6-20)29-14-16-32-17-15-29/h2-9,18H,10-17H2,1H3,(H,26,27,28)
InChIKeyACHPURRYJGKESY-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.09
Rot. Bonds5

About 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 117081943) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID117081943
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cnc(N2CCN(c3ccccn3)CC2)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29N7O/c1-19-18-26-24(31-12-10-30(11-13-31)22-4-2-3-9-25-22)28-23(19)27-20-5-7-21(8-6-20)29-14-16-32-17-15-29/h2-9,18H,10-17H2,1H3,(H,26,27,28)
InChIKeyACHPURRYJGKESY-UHFFFAOYSA-N
XLogP3.09
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117082534
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 117081084
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
N-(2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898838
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
CID 171622110
N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117085603
4-(4-methylanilino)-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30315874
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 117081943) is 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1cnc(N2CCN(c3ccccn3)CC2)nc1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ACHPURRYJGKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-19-18-26-24(31-12-10-30(11-13-31)22-4-2-3-9-25-22)28-23(19)27-20-5-7-21(8-6-20)29-14-16-32-17-15-29/h2-9,18H,10-17H2,1H3,(H,26,27,28).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 431.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117081943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).