[4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

C20H19N5O — CID 171513296

IUPAC[4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESCN(Cc1ccncc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12
InChIInChI=1S/C20H19N5O/c1-25(11-14-6-8-21-9-7-14)20-17-10-18(24-19(17)22-13-23-20)16-4-2-15(12-26)3-5-16/h2-10,13,26H,11-12H2,1H3,(H,22,23,24)
InChIKeyKOTRVAMMDDKVHE-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.15
Rot. Bonds5

About [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

[4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol (PubChem CID 171513296) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
PubChem CID171513296
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name[4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESCN(Cc1ccncc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12
InChIInChI=1S/C20H19N5O/c1-25(11-14-6-8-21-9-7-14)20-17-10-18(24-19(17)22-13-23-20)16-4-2-15(12-26)3-5-16/h2-10,13,26H,11-12H2,1H3,(H,22,23,24)
InChIKeyKOTRVAMMDDKVHE-UHFFFAOYSA-N
XLogP3.15
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The IUPAC name of [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol (CID 171513296) is [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol is CN(Cc1ccncc1)c1ncnc2[nH]c(-c3ccc(CO)cc3)cc12.
What is the InChIKey of [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The InChIKey is KOTRVAMMDDKVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-25(11-14-6-8-21-9-7-14)20-17-10-18(24-19(17)22-13-23-20)16-4-2-15(12-26)3-5-16/h2-10,13,26H,11-12H2,1H3,(H,22,23,24).
What are the key properties of [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
[4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol has a molecular weight of 345.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[methyl(pyridin-4-ylmethyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol is sourced from PubChem (CID 171513296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).