4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile

C26H30N6O — CID 11464906

IUPAC4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile
SMILESCC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2C#N)cc1
InChIInChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
InChIKeyMROGTPNQSHMKIG-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.83
Rot. Bonds7

About 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile

4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile (PubChem CID 11464906) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile
PubChem CID11464906
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile
SMILESCC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2C#N)cc1
InChIInChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
InChIKeyMROGTPNQSHMKIG-UHFFFAOYSA-N
XLogP3.83
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-(1-Amino-1-Methylethyl)Phenyl)-5-Chloro-N-(4-(2-Morpholin-4-Ylethyl)Phenyl)Pyrimidin-2-Amine
CID 447622
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
4-Phenyl-2-(phenylamino)pyrimidine-5-carbonitrile
CID 18516979
2-(p-Toluidino)-4-phenylpyrimidine-5-carbonitrile
CID 44430881
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
US8962609, Dmx-16
CID 56593541
4-(4-(1-(2,6-Difluorophenyl)ethyl)pyrimidin-2-ylamino)benzonitrile
CID 52952628
4-(4-(1-(2,6-Difluorophenyl)ethyl)-5-methylpyrimidin-2-ylamino)benzonitrile
CID 52952629
4-[4-[[2-(4-Cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylphenyl]benzonitrile
CID 134816336

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile (CID 11464906) is 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile is CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2C#N)cc1.
What is the InChIKey of 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile?
The InChIKey is MROGTPNQSHMKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31).
What are the key properties of 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile?
4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile has a molecular weight of 442.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 11464906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).