N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine

C19H25FN4O — CID 21460880

IUPACN-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCc1cc(F)cc2c1OC(CNCCCNc1ncccn1)CC2
InChIInChI=1S/C19H25FN4O/c1-2-14-11-16(20)12-15-5-6-17(25-18(14)15)13-21-7-3-8-22-19-23-9-4-10-24-19/h4,9-12,17,21H,2-3,5-8,13H2,1H3,(H,22,23,24)
InChIKeyVUZCLMJXNWIOFV-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.96
Rot. Bonds8

About N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine

N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 21460880) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID21460880
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCc1cc(F)cc2c1OC(CNCCCNc1ncccn1)CC2
InChIInChI=1S/C19H25FN4O/c1-2-14-11-16(20)12-15-5-6-17(25-18(14)15)13-21-7-3-8-22-19-23-9-4-10-24-19/h4,9-12,17,21H,2-3,5-8,13H2,1H3,(H,22,23,24)
InChIKeyVUZCLMJXNWIOFV-UHFFFAOYSA-N
XLogP2.96
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine 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

4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
5-[(4-Ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112756
5-[[3,5-Diethyl-4-(2-phenylmethoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 13739872
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393161
N4-[2-(4-Fluorophenoxy)ethyl]-N6-[(1S)-(1-phenylethyl)]pyrimidine-4,6-diamine
CID 44393171
N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
CID 3233283
5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3235221
(3-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10784327
5-[(4-Butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112761
5-[(4-Butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine;hydrochloride
CID 13112762

Frequently Asked Questions

What is the IUPAC name of N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 21460880) is N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine is CCc1cc(F)cc2c1OC(CNCCCNc1ncccn1)CC2.
What is the InChIKey of N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is VUZCLMJXNWIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-14-11-16(20)12-15-5-6-17(25-18(14)15)13-21-7-3-8-22-19-23-9-4-10-24-19/h4,9-12,17,21H,2-3,5-8,13H2,1H3,(H,22,23,24).
What are the key properties of N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 344.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-ethyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 21460880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).