2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C17H15ClN4O — CID 6602808

IUPAC2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccncc2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H14N4O.ClH/c1-2-14-20-15-12-5-3-4-6-13(12)22-16(15)17(21-14)19-11-7-9-18-10-8-11;/h3-10H,2H2,1H3,(H,18,19,20,21);1H
InChIKeyRBCNTCMDZZAQCH-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.50
Rot. Bonds3

About 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602808) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602808
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccncc2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H14N4O.ClH/c1-2-14-20-15-12-5-3-4-6-13(12)22-16(15)17(21-14)19-11-7-9-18-10-8-11;/h3-10H,2H2,1H3,(H,18,19,20,21);1H
InChIKeyRBCNTCMDZZAQCH-UHFFFAOYSA-N
XLogP4.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol
CID 9884685
YM-201636
CID 9956222
6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 609295
Benzofurano[3,2-d]pyrimidine deriv. 77
CID 5328425
PI-103 (Hydrochloride)
CID 16739368
2-Chloro-5-{[2-(Pyrimidin-2-Yl)furo[2,3-C]pyridin-3-Yl]amino}phenol
CID 49849970
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
6-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)naphthalen-1-ol
CID 16045086
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
4,4-dimethyl-8-N-propan-2-yl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642660
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602808) is 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(Nc2ccncc2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is RBCNTCMDZZAQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O.ClH/c1-2-14-20-15-12-5-3-4-6-13(12)22-16(15)17(21-14)19-11-7-9-18-10-8-11;/h3-10H,2H2,1H3,(H,18,19,20,21);1H.
What are the key properties of 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 326.79 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).