N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine

C19H19ClN8 — CID 71142696

IUPACN-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nc(N2CCCC2)c2c(Cl)cccc2n1
InChIInChI=1S/C19H19ClN8/c1-11(25-18-15-17(22-9-21-15)23-10-24-18)16-26-13-6-4-5-12(20)14(13)19(27-16)28-7-2-3-8-28/h4-6,9-11H,2-3,7-8H2,1H3,(H2,21,22,23,24,25)/t11-/m0/s1
InChIKeyAKXWROLUSQNRSX-NSHDSACASA-N
MW394.87 g/mol
LogP3.72
Rot. Bonds4

About N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine (PubChem CID 71142696) has the molecular formula C19H19ClN8 and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine
PubChem CID71142696
Molecular FormulaC19H19ClN8
Molecular Weight394.87 g/mol
Exact Mass394.14
IUPAC NameN-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nc(N2CCCC2)c2c(Cl)cccc2n1
InChIInChI=1S/C19H19ClN8/c1-11(25-18-15-17(22-9-21-15)23-10-24-18)16-26-13-6-4-5-12(20)14(13)19(27-16)28-7-2-3-8-28/h4-6,9-11H,2-3,7-8H2,1H3,(H2,21,22,23,24,25)/t11-/m0/s1
InChIKeyAKXWROLUSQNRSX-NSHDSACASA-N
XLogP3.72
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[1-(8-chloro-1-morpholin-4-ylisoquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 78032857
5-chloro-3-[(2-oxo-1H-pyridin-3-yl)amino]-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 144566883
5-chloro-3-(4-fluoroanilino)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 73331002
3-[4-[[5-chloro-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-yl]oxymethyl]cycloheptyl]butan-2-one
CID 91017220
5-chloro-3-[(1-methyl-6-oxo-3-pyridinyl)amino]-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 73331435
8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 66821892
N-[1-[8-chloro-1-(morpholin-4-ylmethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76512557
5-chloro-2-[2-methyl-1-(7H-purin-6-ylamino)propyl]-3-phenylquinazolin-4-one;hydrochloride
CID 166667038
N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
CID 121486483
5-chloro-3-(2-methyl-3-pyridinyl)-2-[(1R)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 122501903
3-anilino-5-chloro-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 90063422
N-[(1S)-1-[8-chloro-1-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 57329864

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine (CID 71142696) is N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1nc(N2CCCC2)c2c(Cl)cccc2n1.
What is the InChIKey of N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine?
The InChIKey is AKXWROLUSQNRSX-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClN8/c1-11(25-18-15-17(22-9-21-15)23-10-24-18)16-26-13-6-4-5-12(20)14(13)19(27-16)28-7-2-3-8-28/h4-6,9-11H,2-3,7-8H2,1H3,(H2,21,22,23,24,25)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine has a molecular weight of 394.87 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 71142696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).