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

C22H27N5O2 — CID 156838112

IUPAC6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine
SMILESCOC1CNC1.c1ccc2c(c1)OCCC2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C18H18N4O.C4H9NO/c1-2-4-16-12(3-1)14(7-8-23-16)21-17-13-9-15(11-5-6-11)22-18(13)20-10-19-17;1-6-4-2-5-3-4/h1-4,9-11,14H,5-8H2,(H2,19,20,21,22);4-5H,2-3H2,1H3
InChIKeyFCUIXYLSHGZQRH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.38
Rot. Bonds4

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

6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine (PubChem CID 156838112) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine.

Molecular Properties

Compound Name6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine
PubChem CID156838112
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine
SMILESCOC1CNC1.c1ccc2c(c1)OCCC2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C18H18N4O.C4H9NO/c1-2-4-16-12(3-1)14(7-8-23-16)21-17-13-9-15(11-5-6-11)22-18(13)20-10-19-17;1-6-4-2-5-3-4/h1-4,9-11,14H,5-8H2,(H2,19,20,21,22);4-5H,2-3H2,1H3
InChIKeyFCUIXYLSHGZQRH-UHFFFAOYSA-N
XLogP3.38
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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
1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol
CID 167482745
6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837791
6-cyclopropyl-N-[(3R,4R)-3-(3-isocyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172508665
6-cyclopropyl-N-[(3S)-3-(3-isocyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172508659
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
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
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
CID 63728697
N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686441
N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
CID 108774219

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine?
The IUPAC name of 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine (CID 156838112) is 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine.
What is the SMILES notation for 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine?
The canonical SMILES for 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine is COC1CNC1.c1ccc2c(c1)OCCC2Nc1ncnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine?
The InChIKey is FCUIXYLSHGZQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O.C4H9NO/c1-2-4-16-12(3-1)14(7-8-23-16)21-17-13-9-15(11-5-6-11)22-18(13)20-10-19-17;1-6-4-2-5-3-4/h1-4,9-11,14H,5-8H2,(H2,19,20,21,22);4-5H,2-3H2,1H3.
What are the key properties of 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine?
6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine has a molecular weight of 393.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine is sourced from PubChem (CID 156838112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).