6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H17N5 — CID 110430836

IUPAC6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc2[nH]1
InChIInChI=1S/C19H17N5/c1-13-10-17-18(23-13)21-12-22-19(17)24-16-4-2-14(3-5-16)11-15-6-8-20-9-7-15/h2-10,12H,11H2,1H3,(H2,21,22,23,24)
InChIKeyOWWUMDUPMYMBHT-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.00
Rot. Bonds4

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

6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430836) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430836
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc2[nH]1
InChIInChI=1S/C19H17N5/c1-13-10-17-18(23-13)21-12-22-19(17)24-16-4-2-14(3-5-16)11-15-6-8-20-9-7-15/h2-10,12H,11H2,1H3,(H2,21,22,23,24)
InChIKeyOWWUMDUPMYMBHT-UHFFFAOYSA-N
XLogP4.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434849
2-methyl-5-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 58564624
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
N-(2,6-difluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430319
ethyl 3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 110430634
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-[4-(pyridin-4-ylmethyl)phenyl]pyridin-2-amine
CID 82535700
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525
4-[[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 110430514
6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430105
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430836) is 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc2[nH]1.
What is the InChIKey of 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OWWUMDUPMYMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-10-17-18(23-13)21-12-22-19(17)24-16-4-2-14(3-5-16)11-15-6-8-20-9-7-15/h2-10,12H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).