7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C12H18N4O — CID 102700019

IUPAC7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOC(C)Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C12H18N4O/c1-7(17-4)5-16-9(3)8(2)10-11(13)14-6-15-12(10)16/h6-7H,5H2,1-4H3,(H2,13,14,15)
InChIKeyUGRQVOGOIBQKOE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.67
Rot. Bonds3

About 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 102700019) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID102700019
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOC(C)Cn1c(C)c(C)c2c(N)ncnc21
InChIInChI=1S/C12H18N4O/c1-7(17-4)5-16-9(3)8(2)10-11(13)14-6-15-12(10)16/h6-7H,5H2,1-4H3,(H2,13,14,15)
InChIKeyUGRQVOGOIBQKOE-UHFFFAOYSA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
N-cyclohexyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4975837
7-(2-methoxyethyl)-5,6-dimethyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 8072991
5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 13041142
2-[(7-Benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 8030482
2-{[5,6-dimethyl-7-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}ethanol
CID 8073855
4-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 24860827
1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 29111760
5,6-Dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 8029551
7-Hexyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 12211391
7-Allyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 14846476
(2R,3S,5R)-5-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 21606319

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 102700019) is 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is COC(C)Cn1c(C)c(C)c2c(N)ncnc21.
What is the InChIKey of 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UGRQVOGOIBQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(17-4)5-16-9(3)8(2)10-11(13)14-6-15-12(10)16/h6-7H,5H2,1-4H3,(H2,13,14,15).
What are the key properties of 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 102700019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).