2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride

C11H10ClN3O — CID 135958604

IUPAC2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
SMILESCc1nc2c(oc3ccccc32)c(N)[nH+]1.[Cl-]
InChIInChI=1S/C11H9N3O.ClH/c1-6-13-9-7-4-2-3-5-8(7)15-10(9)11(12)14-6;/h2-5H,1H3,(H2,12,13,14);1H
InChIKeyFCBJJUALDKEWOB-UHFFFAOYSA-N
MW235.67 g/mol
LogP-1.31
Rot. Bonds

About 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride

2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride (PubChem CID 135958604) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride.

Molecular Properties

Compound Name2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
PubChem CID135958604
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
SMILESCc1nc2c(oc3ccccc32)c(N)[nH+]1.[Cl-]
InChIInChI=1S/C11H9N3O.ClH/c1-6-13-9-7-4-2-3-5-8(7)15-10(9)11(12)14-6;/h2-5H,1H3,(H2,12,13,14);1H
InChIKeyFCBJJUALDKEWOB-UHFFFAOYSA-N
XLogP-1.31
TPSA66.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
ethane;11-methyl-[1]benzofuro[3,2-b]quinoline
CID 143798134
2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987929
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
ethyl 2-(10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-12-yl)acetate
CID 11462091
2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
CID 166124658
2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987933
2-methyl-4-pyridin-3-yloxy-[1]benzofuro[3,2-d]pyrimidine
CID 22586514
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride?
The IUPAC name of 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride (CID 135958604) is 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride.
What is the SMILES notation for 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride?
The canonical SMILES for 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride is Cc1nc2c(oc3ccccc32)c(N)[nH+]1.[Cl-].
What is the InChIKey of 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride?
The InChIKey is FCBJJUALDKEWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.ClH/c1-6-13-9-7-4-2-3-5-8(7)15-10(9)11(12)14-6;/h2-5H,1H3,(H2,12,13,14);1H.
What are the key properties of 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride?
2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride has a molecular weight of 235.67 g/mol, XLogP of -1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride is sourced from PubChem (CID 135958604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).