5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C14H22N4 — CID 144983828

IUPAC5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cn(C(C)CCC(C)C)c2ncnc(N)c12
InChIInChI=1S/C14H22N4/c1-9(2)5-6-11(4)18-7-10(3)12-13(15)16-8-17-14(12)18/h7-9,11H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeySCKUOCROCJDUKV-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.32
Rot. Bonds4

About 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 144983828) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID144983828
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cn(C(C)CCC(C)C)c2ncnc(N)c12
InChIInChI=1S/C14H22N4/c1-9(2)5-6-11(4)18-7-10(3)12-13(15)16-8-17-14(12)18/h7-9,11H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeySCKUOCROCJDUKV-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 144983828) is 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cn(C(C)CCC(C)C)c2ncnc(N)c12.
What is the InChIKey of 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SCKUOCROCJDUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9(2)5-6-11(4)18-7-10(3)12-13(15)16-8-17-14(12)18/h7-9,11H,5-6H2,1-4H3,(H2,15,16,17).
What are the key properties of 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 144983828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).