2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C16H18ClN3O — CID 106472397

IUPAC2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Cl)nc2c1COCC2
InChIInChI=1S/C16H18ClN3O/c1-2-18-16-12-10-21-8-7-14(12)19-15(20-16)9-11-5-3-4-6-13(11)17/h3-6H,2,7-10H2,1H3,(H,18,19,20)
InChIKeyXSHYLMUVBWEPSG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.23
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472397) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472397
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Cl)nc2c1COCC2
InChIInChI=1S/C16H18ClN3O/c1-2-18-16-12-10-21-8-7-14(12)19-15(20-16)9-11-5-3-4-6-13(11)17/h3-6H,2,7-10H2,1H3,(H,18,19,20)
InChIKeyXSHYLMUVBWEPSG-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190524
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 142062376
2-[(2-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470653
2-[(2,4-dichlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63484670
2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472353
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
N-ethyl-2-(2-methoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472447
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466
N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472423

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472397) is 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(Cc2ccccc2Cl)nc2c1COCC2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is XSHYLMUVBWEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-18-16-12-10-21-8-7-14(12)19-15(20-16)9-11-5-3-4-6-13(11)17/h3-6H,2,7-10H2,1H3,(H,18,19,20).
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).