N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C17H13Cl2N3O2 — CID 44662409

IUPACN-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1ncnc2c1oc1ccccc12.Cl
InChIInChI=1S/C17H12ClN3O2.ClH/c1-22-14-7-6-10(18)8-12(14)21-17-16-15(19-9-20-17)11-4-2-3-5-13(11)23-16;/h2-9H,1H3,(H,19,20,21);1H
InChIKeyAKLFKTLMHYJTPD-UHFFFAOYSA-N
MW362.22 g/mol
LogP5.20
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 44662409) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID44662409
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1ncnc2c1oc1ccccc12.Cl
InChIInChI=1S/C17H12ClN3O2.ClH/c1-22-14-7-6-10(18)8-12(14)21-17-16-15(19-9-20-17)11-4-2-3-5-13(11)23-16;/h2-9H,1H3,(H,19,20,21);1H
InChIKeyAKLFKTLMHYJTPD-UHFFFAOYSA-N
XLogP5.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.22
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 31054972
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol;hydrochloride
CID 24761188
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1394504
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
CID 133445052
4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23484648
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9385083

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 44662409) is N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is COc1ccc(Cl)cc1Nc1ncnc2c1oc1ccccc12.Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AKLFKTLMHYJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2.ClH/c1-22-14-7-6-10(18)8-12(14)21-17-16-15(19-9-20-17)11-4-2-3-5-13(11)23-16;/h2-9H,1H3,(H,19,20,21);1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 362.22 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 44662409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).