N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine

C17H24N4 — CID 83180589

IUPACN-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CC)c2ccccc2)nc1C
InChIInChI=1S/C17H24N4/c1-4-11-18-12-15-13-19-17(20-14(15)3)21(5-2)16-9-7-6-8-10-16/h6-10,13,18H,4-5,11-12H2,1-3H3
InChIKeyYPMQHKADBWIOLT-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.44
Rot. Bonds7

About N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine

N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 83180589) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID83180589
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CC)c2ccccc2)nc1C
InChIInChI=1S/C17H24N4/c1-4-11-18-12-15-13-19-17(20-14(15)3)21(5-2)16-9-7-6-8-10-16/h6-10,13,18H,4-5,11-12H2,1-3H3
InChIKeyYPMQHKADBWIOLT-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-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

N-ethyl-4-methyl-5-(methylaminomethyl)-N-phenylpyrimidin-2-amine
CID 83185236
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378961
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83188945
N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine (CID 83180589) is N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(CC)c2ccccc2)nc1C.
What is the InChIKey of N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is YPMQHKADBWIOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-11-18-12-15-13-19-17(20-14(15)3)21(5-2)16-9-7-6-8-10-16/h6-10,13,18H,4-5,11-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine?
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 284.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 83180589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).