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

C22H24N4O2 — CID 156837791

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)OCC(CC1COC1)C2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C22H24N4O2/c1-2-4-19-16(3-1)20(15(11-28-19)7-13-9-27-10-13)26-22-17-8-18(14-5-6-14)25-21(17)23-12-24-22/h1-4,8,12-15,20H,5-7,9-11H2,(H2,23,24,25,26)
InChIKeyMQHUYYGNWHEHHX-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.03
Rot. Bonds5

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

6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156837791) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156837791
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)OCC(CC1COC1)C2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C22H24N4O2/c1-2-4-19-16(3-1)20(15(11-28-19)7-13-9-27-10-13)26-22-17-8-18(14-5-6-14)25-21(17)23-12-24-22/h1-4,8,12-15,20H,5-7,9-11H2,(H2,23,24,25,26)
InChIKeyMQHUYYGNWHEHHX-UHFFFAOYSA-N
XLogP4.03
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156837791) is 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc2c(c1)OCC(CC1COC1)C2Nc1ncnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MQHUYYGNWHEHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-4-19-16(3-1)20(15(11-28-19)7-13-9-27-10-13)26-22-17-8-18(14-5-6-14)25-21(17)23-12-24-22/h1-4,8,12-15,20H,5-7,9-11H2,(H2,23,24,25,26).
What are the key properties of 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156837791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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