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

C17H20N4 — CID 62314662

IUPAC5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CCn2c(C)c(C)c3c(N)ncnc32)c1
InChIInChI=1S/C17H20N4/c1-11-5-4-6-14(9-11)7-8-21-13(3)12(2)15-16(18)19-10-20-17(15)21/h4-6,9-10H,7-8H2,1-3H3,(H2,18,19,20)
InChIKeyLKERSVHFDVPNEG-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.18
Rot. Bonds3

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

5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 62314662) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID62314662
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CCn2c(C)c(C)c3c(N)ncnc32)c1
InChIInChI=1S/C17H20N4/c1-11-5-4-6-14(9-11)7-8-21-13(3)12(2)15-16(18)19-10-20-17(15)21/h4-6,9-10H,7-8H2,1-3H3,(H2,18,19,20)
InChIKeyLKERSVHFDVPNEG-UHFFFAOYSA-N
XLogP3.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 62314662) is 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(CCn2c(C)c(C)c3c(N)ncnc32)c1.
What is the InChIKey of 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LKERSVHFDVPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11-5-4-6-14(9-11)7-8-21-13(3)12(2)15-16(18)19-10-20-17(15)21/h4-6,9-10H,7-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62314662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).