N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H27N5O3 — CID 167482577

IUPACN-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CN(C2COc3ccccc3C2Nc2ncnc3[nH]c(C4COC4)cc23)CCO1
InChIInChI=1S/C23H27N5O3/c1-14-9-28(6-7-30-14)19-12-31-20-5-3-2-4-16(20)21(19)27-23-17-8-18(15-10-29-11-15)26-22(17)24-13-25-23/h2-5,8,13-15,19,21H,6-7,9-12H2,1H3,(H2,24,25,26,27)
InChIKeyCSOYTPNCJGBPJV-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.71
Rot. Bonds4

About N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167482577) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167482577
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CN(C2COc3ccccc3C2Nc2ncnc3[nH]c(C4COC4)cc23)CCO1
InChIInChI=1S/C23H27N5O3/c1-14-9-28(6-7-30-14)19-12-31-20-5-3-2-4-16(20)21(19)27-23-17-8-18(15-10-29-11-15)26-22(17)24-13-25-23/h2-5,8,13-15,19,21H,6-7,9-12H2,1H3,(H2,24,25,26,27)
InChIKeyCSOYTPNCJGBPJV-UHFFFAOYSA-N
XLogP2.71
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-cyclopropyl-N-[(3S,4R)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838104
6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482508
6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838242
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 167482434
N-[5-fluoro-3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482505
N-[(3R,4S)-3-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837757
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168516
2-cyclopropyl-N-[(3R,4S)-3-[(2R)-2-methylmorpholin-4-yl]-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170958564
6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837791
1-[4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-yl]azetidine-3-carbonitrile
CID 156838162
3-methyl-1-[(3S,4R)-4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-yl]azetidin-3-ol
CID 156838111
N-[(4S)-3-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482560

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167482577) is N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CN(C2COc3ccccc3C2Nc2ncnc3[nH]c(C4COC4)cc23)CCO1.
What is the InChIKey of N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CSOYTPNCJGBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-9-28(6-7-30-14)19-12-31-20-5-3-2-4-16(20)21(19)27-23-17-8-18(15-10-29-11-15)26-22(17)24-13-25-23/h2-5,8,13-15,19,21H,6-7,9-12H2,1H3,(H2,24,25,26,27).
What are the key properties of N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 421.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167482577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).