7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C19H19N5 — CID 150330837

IUPAC7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCn1cc(-c2cnc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-2-3-8-24-11-15(17-18(20)22-12-23-19(17)24)14-9-13-6-4-5-7-16(13)21-10-14/h4-7,9-12H,2-3,8H2,1H3,(H2,20,22,23)
InChIKeyGPQGYRFZTYBZKH-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.03
Rot. Bonds4

About 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 150330837) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID150330837
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCn1cc(-c2cnc3ccccc3c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-2-3-8-24-11-15(17-18(20)22-12-23-19(17)24)14-9-13-6-4-5-7-16(13)21-10-14/h4-7,9-12H,2-3,8H2,1H3,(H2,20,22,23)
InChIKeyGPQGYRFZTYBZKH-UHFFFAOYSA-N
XLogP4.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(4-amino-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(2-bromo-4-fluorophenyl)ethyl]-N-methylcarbamate
CID 166941734
5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 118596411
1-[(3R)-3-(4-amino-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 150009844
1-[4-(4-amino-7-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 155520246
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
(8R)-8-ethyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-4-amine
CID 121298996
7-(4-amino-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)-N-hydroxyheptanamide
CID 164614749
2-quinolin-3-ylaniline
CID 4134401
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
CID 86711284
(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 57230556
7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167097742
3-methylquinoline;pentane
CID 145470784

Frequently Asked Questions

What is the IUPAC name of 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 150330837) is 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is CCCCn1cc(-c2cnc3ccccc3c2)c2c(N)ncnc21.
What is the InChIKey of 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GPQGYRFZTYBZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-3-8-24-11-15(17-18(20)22-12-23-19(17)24)14-9-13-6-4-5-7-16(13)21-10-14/h4-7,9-12H,2-3,8H2,1H3,(H2,20,22,23).
What are the key properties of 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 150330837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).