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

C13H13N5 — CID 167880529

IUPAC2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2)c2cc[nH]c2n1
InChIInChI=1S/C13H13N5/c1-9-17-12-11(4-7-15-12)13(18-9)16-8-10-2-5-14-6-3-10/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKeyAFFJRFKFNJDKFY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.27
Rot. Bonds3

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

2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167880529) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167880529
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2)c2cc[nH]c2n1
InChIInChI=1S/C13H13N5/c1-9-17-12-11(4-7-15-12)13(18-9)16-8-10-2-5-14-6-3-10/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKeyAFFJRFKFNJDKFY-UHFFFAOYSA-N
XLogP2.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride
CID 10760044
2-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10267224
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56902926
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257730
N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 171679809
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 56905136
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167947731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167880529) is 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccncc2)c2cc[nH]c2n1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AFFJRFKFNJDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-17-12-11(4-7-15-12)13(18-9)16-8-10-2-5-14-6-3-10/h2-7H,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167880529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).