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

C16H18N4O — CID 110430525

IUPAC6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCOc1ccccc1Nc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O/c1-3-8-21-14-7-5-4-6-13(14)20-16-12-9-11(2)19-15(12)17-10-18-16/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyMKAZBVKNUNKTQL-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.80
Rot. Bonds5

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

6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430525) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430525
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCOc1ccccc1Nc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O/c1-3-8-21-14-7-5-4-6-13(14)20-16-12-9-11(2)19-15(12)17-10-18-16/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyMKAZBVKNUNKTQL-UHFFFAOYSA-N
XLogP3.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-N-(2-propoxyphenyl)pyridine-2,3-diamine
CID 82059608
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-(2-ethoxyphenyl)-7-methoxyquinazolin-4-amine
CID 110434377
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
[5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80917904
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430946
4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one
CID 135899964
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066129
4-chloro-3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 110430703
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430525) is 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCOc1ccccc1Nc1ncnc2[nH]c(C)cc12.
What is the InChIKey of 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MKAZBVKNUNKTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-8-21-14-7-5-4-6-13(14)20-16-12-9-11(2)19-15(12)17-10-18-16/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).