2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C14H17N3O — CID 113453444

IUPAC2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1occc1-c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C14H17N3O/c1-9-10(7-8-18-9)14-16-12-6-4-2-3-5-11(12)13(15)17-14/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyMJJNWDCYZTWTFW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds1

About 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 113453444) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID113453444
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1occc1-c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C14H17N3O/c1-9-10(7-8-18-9)14-16-12-6-4-2-3-5-11(12)13(15)17-14/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyMJJNWDCYZTWTFW-UHFFFAOYSA-N
XLogP2.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 104789145
[2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104790753
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136829190
4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737862
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351905
2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114557339
5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790716
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202448

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 113453444) is 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is Cc1occc1-c1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is MJJNWDCYZTWTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-10(7-8-18-9)14-16-12-6-4-2-3-5-11(12)13(15)17-14/h7-8H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 113453444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).