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

C19H16ClN3O2 — CID 1401178

IUPACN-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2ccc(OC)c(Cl)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H16ClN3O2/c1-3-16-22-17-12-6-4-5-7-14(12)25-18(17)19(23-16)21-11-8-9-15(24-2)13(20)10-11/h4-10H,3H2,1-2H3,(H,21,22,23)
InChIKeyMHCYELIPKGJZST-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.34
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1401178) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1401178
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2ccc(OC)c(Cl)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H16ClN3O2/c1-3-16-22-17-12-6-4-5-7-14(12)25-18(17)19(23-16)21-11-8-9-15(24-2)13(20)10-11/h4-10H,3H2,1-2H3,(H,21,22,23)
InChIKeyMHCYELIPKGJZST-UHFFFAOYSA-N
XLogP5.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol;hydrochloride
CID 24761132
N-(3-chloro-4-methoxyphenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965444
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 31054972
N-(5-chloro-2-methoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 44662409
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2005489
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964960
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1401178) is N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCc1nc(Nc2ccc(OC)c(Cl)c2)c2oc3ccccc3c2n1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is MHCYELIPKGJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-3-16-22-17-12-6-4-5-7-14(12)25-18(17)19(23-16)21-11-8-9-15(24-2)13(20)10-11/h4-10H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 353.81 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1401178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).