4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine

C17H16N4O — CID 174613988

IUPAC4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cccc(-c2nc(C3=COCCC3)c3cc[nH]c3n2)n1
InChIInChI=1S/C17H16N4O/c1-11-4-2-6-14(19-11)17-20-15(12-5-3-9-22-10-12)13-7-8-18-16(13)21-17/h2,4,6-8,10H,3,5,9H2,1H3,(H,18,20,21)
InChIKeyOWLUXFLWQFDSJM-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.48
Rot. Bonds2

About 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 174613988) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID174613988
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cccc(-c2nc(C3=COCCC3)c3cc[nH]c3n2)n1
InChIInChI=1S/C17H16N4O/c1-11-4-2-6-14(19-11)17-20-15(12-5-3-9-22-10-12)13-7-8-18-16(13)21-17/h2,4,6-8,10H,3,5,9H2,1H3,(H,18,20,21)
InChIKeyOWLUXFLWQFDSJM-UHFFFAOYSA-N
XLogP3.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 68935386
N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine
CID 68932815
2-[[4-[5-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]phenyl]methylamino]acetic acid
CID 68937731
tert-butyl 2-[3-[5-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]phenyl]pyrrolidine-1-carboxylate
CID 68762779
4-(3-methylphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 71271652
4-(6-methoxy-2-pyridinyl)-2-(5-methylfuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 155753624
2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 163287329
4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
CID 71276578
4-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 71276600
2-[(2-methylpropan-2-yl)oxycarbonyl-[[3-[5-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]phenyl]methyl]amino]acetic acid
CID 68763876
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67702021
4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine
CID 63867330

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 174613988) is 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1cccc(-c2nc(C3=COCCC3)c3cc[nH]c3n2)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OWLUXFLWQFDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-4-2-6-14(19-11)17-20-15(12-5-3-9-22-10-12)13-7-8-18-16(13)21-17/h2,4,6-8,10H,3,5,9H2,1H3,(H,18,20,21).
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 292.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-yl)-2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 174613988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).