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

C15H16N4 — CID 110430273

IUPAC2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C)c2cc(C)[nH]c2n1
InChIInChI=1S/C15H16N4/c1-9-6-4-5-7-13(9)19-15-12-8-10(2)16-14(12)17-11(3)18-15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyNMJDZWAJMSEUEP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.63
Rot. Bonds2

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

2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430273) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430273
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C)c2cc(C)[nH]c2n1
InChIInChI=1S/C15H16N4/c1-9-6-4-5-7-13(9)19-15-12-8-10(2)16-14(12)17-11(3)18-15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyNMJDZWAJMSEUEP-UHFFFAOYSA-N
XLogP3.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid
CID 110430640
N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide
CID 110430765
N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430533
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430726
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430592
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
N-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 110430337

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430273) is 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2ccccc2C)c2cc(C)[nH]c2n1.
What is the InChIKey of 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NMJDZWAJMSEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-6-4-5-7-13(9)19-15-12-8-10(2)16-14(12)17-11(3)18-15/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).