1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C13H18N4O — CID 175667995

IUPAC1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1c[nH]c2ncnc(NCC3(O)CCCC3)c12
InChIInChI=1S/C13H18N4O/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)4-2-3-5-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyIDMIYQFXNXRFAV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.98
Rot. Bonds3

About 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 175667995) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID175667995
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1c[nH]c2ncnc(NCC3(O)CCCC3)c12
InChIInChI=1S/C13H18N4O/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)4-2-3-5-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyIDMIYQFXNXRFAV-UHFFFAOYSA-N
XLogP1.98
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 175667995) is 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1c[nH]c2ncnc(NCC3(O)CCCC3)c12.
What is the InChIKey of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is IDMIYQFXNXRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)4-2-3-5-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 175667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).