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

C18H22N4 — CID 174441995

IUPAC2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c(-n2c(C)c(C)c3c(N)nc(C)nc32)c(C)c1
InChIInChI=1S/C18H22N4/c1-9-7-10(2)16(11(3)8-9)22-13(5)12(4)15-17(19)20-14(6)21-18(15)22/h7-8H,1-6H3,(H2,19,20,21)
InChIKeyKDKDZSJJOQOJAB-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.85
Rot. Bonds1

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

2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174441995) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174441995
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c(-n2c(C)c(C)c3c(N)nc(C)nc32)c(C)c1
InChIInChI=1S/C18H22N4/c1-9-7-10(2)16(11(3)8-9)22-13(5)12(4)15-17(19)20-14(6)21-18(15)22/h7-8H,1-6H3,(H2,19,20,21)
InChIKeyKDKDZSJJOQOJAB-UHFFFAOYSA-N
XLogP3.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 174441995) is 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(C)c(-n2c(C)c(C)c3c(N)nc(C)nc32)c(C)c1.
What is the InChIKey of 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KDKDZSJJOQOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-9-7-10(2)16(11(3)8-9)22-13(5)12(4)15-17(19)20-14(6)21-18(15)22/h7-8H,1-6H3,(H2,19,20,21).
What are the key properties of 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 294.40 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174441995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).