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

C15H24N4 — CID 115326743

IUPAC5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCCC(C)C)c2ncnc(N)c12
InChIInChI=1S/C15H24N4/c1-10(2)7-5-6-8-19-12(4)11(3)13-14(16)17-9-18-15(13)19/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyYCVRLPZQSIAMAM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.46
Rot. Bonds5

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

5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 115326743) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID115326743
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCCC(C)C)c2ncnc(N)c12
InChIInChI=1S/C15H24N4/c1-10(2)7-5-6-8-19-12(4)11(3)13-14(16)17-9-18-15(13)19/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyYCVRLPZQSIAMAM-UHFFFAOYSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-7-(4,4,4-trifluorobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115521663
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 102700019
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817677
N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
CID 43546324
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337044
5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114701586
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82730631

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 115326743) is 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCCCC(C)C)c2ncnc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YCVRLPZQSIAMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10(2)7-5-6-8-19-12(4)11(3)13-14(16)17-9-18-15(13)19/h9-10H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115326743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).