4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine

C18H23FN6O — CID 56749189

IUPAC4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine
SMILESCC(C)(C)c1ncc2c(n1)CN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C18H23FN6O/c1-18(2,3)16-20-8-12-10-25(11-14(12)22-16)17-21-9-13(19)15(23-17)24-4-6-26-7-5-24/h8-9H,4-7,10-11H2,1-3H3
InChIKeyQJOCNFSIDBNBKD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.06
Rot. Bonds2

About 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine

4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 56749189) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine
PubChem CID56749189
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine
SMILESCC(C)(C)c1ncc2c(n1)CN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C18H23FN6O/c1-18(2,3)16-20-8-12-10-25(11-14(12)22-16)17-21-9-13(19)15(23-17)24-4-6-26-7-5-24/h8-9H,4-7,10-11H2,1-3H3
InChIKeyQJOCNFSIDBNBKD-UHFFFAOYSA-N
XLogP2.06
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56703409
4-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 56746999
2-[[2-Amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
CID 56760076
N,N-dimethyl-2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-sulfonamide
CID 86264645
5-[4-(4-Methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58507977
(3S)-4-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 121334405
4-[4-(Azepan-1-yl)-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]-1,3,5-triazin-2-yl]morpholine
CID 122592585
4-[4-[4-(Difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 152210072
4-(difluoromethyl)-5-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 163640411
4-(Difluoromethyl)-5-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 165401936
5-(Difluoromethyl)-4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 172765475
4-[4-[4-(Difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine
CID 177044194

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine (CID 56749189) is 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine is CC(C)(C)c1ncc2c(n1)CN(c1ncc(F)c(N3CCOCC3)n1)C2.
What is the InChIKey of 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is QJOCNFSIDBNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-18(2,3)16-20-8-12-10-25(11-14(12)22-16)17-21-9-13(19)15(23-17)24-4-6-26-7-5-24/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine?
4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 358.42 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 56749189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).