4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine

C21H23N7O — CID 123987515

IUPAC4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ccnc(N)n2)C3)cc1
InChIInChI=1S/C21H23N7O/c1-14-2-4-15(5-3-14)19-24-17-13-28(18-6-7-23-21(22)25-18)12-16(17)20(26-19)27-8-10-29-11-9-27/h2-7H,8-13H2,1H3,(H2,22,23,25)
InChIKeyFLGDHBJTUCRVGD-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.18
Rot. Bonds3

About 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine

4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine (PubChem CID 123987515) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
PubChem CID123987515
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ccnc(N)n2)C3)cc1
InChIInChI=1S/C21H23N7O/c1-14-2-4-15(5-3-14)19-24-17-13-28(18-6-7-23-21(22)25-18)12-16(17)20(26-19)27-8-10-29-11-9-27/h2-7H,8-13H2,1H3,(H2,22,23,25)
InChIKeyFLGDHBJTUCRVGD-UHFFFAOYSA-N
XLogP2.18
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
1-ethyl-3-[4-[4-morpholin-4-yl-7-(4-morpholin-4-ylpyrimidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67176993
1,1-dimethyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 44816466
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453
4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 68555623
4-(2-aminopyrimidin-4-yl)-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol
CID 56708295
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-[2-(2,3-dihydro-1H-indol-5-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
CID 91216293
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
1-cyano-2-ethyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]guanidine;4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)aniline
CID 158324052
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
4-(6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 5261038

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine (CID 123987515) is 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine is Cc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ccnc(N)n2)C3)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
The InChIKey is FLGDHBJTUCRVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-14-2-4-15(5-3-14)19-24-17-13-28(18-6-7-23-21(22)25-18)12-16(17)20(26-19)27-8-10-29-11-9-27/h2-7H,8-13H2,1H3,(H2,22,23,25).
What are the key properties of 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine has a molecular weight of 389.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 123987515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).