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

C18H17FN4O — CID 156838127

IUPAC6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)OCC[C@@H]2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C18H17FN4O/c19-11-3-4-12-14(5-6-24-16(12)7-11)22-17-13-8-15(10-1-2-10)23-18(13)21-9-20-17/h3-4,7-10,14H,1-2,5-6H2,(H2,20,21,22,23)/t14-/m0/s1
InChIKeyOEBWQIPIAROBSU-AWEZNQCLSA-N
MW324.36 g/mol
LogP3.91
Rot. Bonds3

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

6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156838127) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156838127
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)OCC[C@@H]2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C18H17FN4O/c19-11-3-4-12-14(5-6-24-16(12)7-11)22-17-13-8-15(10-1-2-10)23-18(13)21-9-20-17/h3-4,7-10,14H,1-2,5-6H2,(H2,20,21,22,23)/t14-/m0/s1
InChIKeyOEBWQIPIAROBSU-AWEZNQCLSA-N
XLogP3.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Meriolin 5
CID 23727982
Rwj-68354
CID 9819053
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
6-(2,6-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 117780336
(2S)-2-[[6-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117804364
(r)-6-(4-Methoxyphenyl)-n-(1-phenylethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53759588
3-(3-fluoro-4-{[2-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-1-[(4-fluorophenyl)methyl]urea (2a)
CID 121225768
Meriolin 7
CID 24801186
(2S)-2-[[6-[4-(hydroxymethyl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 145959060
(2S)-2-[[6-(2-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162643734

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156838127) is 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc2c(c1)OCC[C@@H]2Nc1ncnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OEBWQIPIAROBSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-11-3-4-12-14(5-6-24-16(12)7-11)22-17-13-8-15(10-1-2-10)23-18(13)21-9-20-17/h3-4,7-10,14H,1-2,5-6H2,(H2,20,21,22,23)/t14-/m0/s1.
What are the key properties of 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 324.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156838127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).