7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine

C24H25ClN6 — CID 145263574

IUPAC7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine
SMILESClc1ncnc2c1ccn2C1CCC(CCc2ccc3cnc(NC4CC4)nc3c2)C1
InChIInChI=1S/C24H25ClN6/c25-22-20-9-10-31(23(20)28-14-27-22)19-8-4-15(11-19)1-2-16-3-5-17-13-26-24(29-18-6-7-18)30-21(17)12-16/h3,5,9-10,12-15,18-19H,1-2,4,6-8,11H2,(H,26,29,30)
InChIKeyVLRVEKTZPOJVLV-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.58
Rot. Bonds6

About 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine

7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine (PubChem CID 145263574) has the molecular formula C24H25ClN6 and a molecular weight of 432.96 g/mol. Its IUPAC name is 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine.

Molecular Properties

Compound Name7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine
PubChem CID145263574
Molecular FormulaC24H25ClN6
Molecular Weight432.96 g/mol
Exact Mass432.18
IUPAC Name7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine
SMILESClc1ncnc2c1ccn2C1CCC(CCc2ccc3cnc(NC4CC4)nc3c2)C1
InChIInChI=1S/C24H25ClN6/c25-22-20-9-10-31(23(20)28-14-27-22)19-8-4-15(11-19)1-2-16-3-5-17-13-26-24(29-18-6-7-18)30-21(17)12-16/h3,5,9-10,12-15,18-19H,1-2,4,6-8,11H2,(H,26,29,30)
InChIKeyVLRVEKTZPOJVLV-UHFFFAOYSA-N
XLogP5.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclobutylquinolin-2-amine;propane-2,2-diol
CID 145263938
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine;propane-2,2-diol
CID 145263868
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 166776430
N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 155175220
CID 155732209
CID 155732209
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
7-[3-[2-(3-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138713003
N-(2-fluoroethyl)-7-[2-[3-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]quinolin-2-amine
CID 170081026
7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155362929
(2R,3R,4S,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[2-(cyclopropylmethylamino)quinolin-7-yl]ethyl]oxolane-3,4-diol
CID 126637574

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine?
The IUPAC name of 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine (CID 145263574) is 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine.
What is the SMILES notation for 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine?
The canonical SMILES for 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine is Clc1ncnc2c1ccn2C1CCC(CCc2ccc3cnc(NC4CC4)nc3c2)C1.
What is the InChIKey of 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine?
The InChIKey is VLRVEKTZPOJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6/c25-22-20-9-10-31(23(20)28-14-27-22)19-8-4-15(11-19)1-2-16-3-5-17-13-26-24(29-18-6-7-18)30-21(17)12-16/h3,5,9-10,12-15,18-19H,1-2,4,6-8,11H2,(H,26,29,30).
What are the key properties of 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine?
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine has a molecular weight of 432.96 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine is sourced from PubChem (CID 145263574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).