5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C15H17N5 — CID 114701586

IUPAC5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cnccc1Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C15H17N5/c1-9-6-17-5-4-12(9)7-20-11(3)10(2)13-14(16)18-8-19-15(13)20/h4-6,8H,7H2,1-3H3,(H2,16,18,19)
InChIKeyHBKFZQNZMHDWHU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.38
Rot. Bonds2

About 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 114701586) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID114701586
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cnccc1Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C15H17N5/c1-9-6-17-5-4-12(9)7-20-11(3)10(2)13-14(16)18-8-19-15(13)20/h4-6,8H,7H2,1-3H3,(H2,16,18,19)
InChIKeyHBKFZQNZMHDWHU-UHFFFAOYSA-N
XLogP2.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114957254
7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82730631
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990
5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115326743
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 66407572
2-(2-chloroethyl)-3-[(3-methyl-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 114701242
6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114701133
7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336950
7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701188

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 114701586) is 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cnccc1Cn1c(C)c(C)c2c(N)ncnc21.
What is the InChIKey of 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HBKFZQNZMHDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-9-6-17-5-4-12(9)7-20-11(3)10(2)13-14(16)18-8-19-15(13)20/h4-6,8H,7H2,1-3H3,(H2,16,18,19).
What are the key properties of 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114701586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).