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

C14H20N4O — CID 175667989

IUPAC1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1c[nH]c2ncnc(NCC3(O)CCCCC3)c12
InChIInChI=1S/C14H20N4O/c1-10-7-15-12-11(10)13(18-9-17-12)16-8-14(19)5-3-2-4-6-14/h7,9,19H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyYIQDBPSXNMIQJS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.37
Rot. Bonds3

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

1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 175667989) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID175667989
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1c[nH]c2ncnc(NCC3(O)CCCCC3)c12
InChIInChI=1S/C14H20N4O/c1-10-7-15-12-11(10)13(18-9-17-12)16-8-14(19)5-3-2-4-6-14/h7,9,19H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyYIQDBPSXNMIQJS-UHFFFAOYSA-N
XLogP2.37
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.37
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]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 175667989) is 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1c[nH]c2ncnc(NCC3(O)CCCCC3)c12.
What is the InChIKey of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YIQDBPSXNMIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-7-15-12-11(10)13(18-9-17-12)16-8-14(19)5-3-2-4-6-14/h7,9,19H,2-6,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.37, 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]cyclohexan-1-ol is sourced from PubChem (CID 175667989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).