4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C17H22FN5 — CID 56911065

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCc3ccc(F)cc3)n1)CCNC2
InChIInChI=1S/C17H22FN5/c1-23(2)17-21-15-11-19-9-8-14(15)16(22-17)20-10-7-12-3-5-13(18)6-4-12/h3-6,19H,7-11H2,1-2H3,(H,20,21,22)
InChIKeyGUFYNDKNZRBXES-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.98
Rot. Bonds5

About 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56911065) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56911065
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCc3ccc(F)cc3)n1)CCNC2
InChIInChI=1S/C17H22FN5/c1-23(2)17-21-15-11-19-9-8-14(15)16(22-17)20-10-7-12-3-5-13(18)6-4-12/h3-6,19H,7-11H2,1-2H3,(H,20,21,22)
InChIKeyGUFYNDKNZRBXES-UHFFFAOYSA-N
XLogP1.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-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

Blonanserin
CID 125564
Revaprazan
CID 204104
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56911065) is 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CN(C)c1nc2c(c(NCCc3ccc(F)cc3)n1)CCNC2.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is GUFYNDKNZRBXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c1-23(2)17-21-15-11-19-9-8-14(15)16(22-17)20-10-7-12-3-5-13(18)6-4-12/h3-6,19H,7-11H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56911065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).