1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol

C15H23N5O — CID 67775139

IUPAC1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc(N2CCC(O)CC2)c2ccn(C)c2n1
InChIInChI=1S/C15H23N5O/c1-3-7-16-15-17-13-12(6-8-19(13)2)14(18-15)20-9-4-11(21)5-10-20/h6,8,11,21H,3-5,7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyLEUCFQYEUMVFBV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.75
Rot. Bonds4

About 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol

1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 67775139) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID67775139
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1nc(N2CCC(O)CC2)c2ccn(C)c2n1
InChIInChI=1S/C15H23N5O/c1-3-7-16-15-17-13-12(6-8-19(13)2)14(18-15)20-9-4-11(21)5-10-20/h6,8,11,21H,3-5,7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyLEUCFQYEUMVFBV-UHFFFAOYSA-N
XLogP1.75
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 67775139) is 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is CCCNc1nc(N2CCC(O)CC2)c2ccn(C)c2n1.
What is the InChIKey of 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is LEUCFQYEUMVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-7-16-15-17-13-12(6-8-19(13)2)14(18-15)20-9-4-11(21)5-10-20/h6,8,11,21H,3-5,7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 289.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-2-(propylamino)pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 67775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).