2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine

C21H24N4O — CID 134120434

IUPAC2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1CCCc1cccc2ccccc12
InChIInChI=1S/C21H24N4O/c22-20-18(15-23-21(24-20)25-11-13-26-14-12-25)9-4-8-17-7-3-6-16-5-1-2-10-19(16)17/h1-3,5-7,10,15H,4,8-9,11-14H2,(H2,22,23,24)
InChIKeyISMFXMUURZRFOB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.22
Rot. Bonds5

About 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine

2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine (PubChem CID 134120434) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine
PubChem CID134120434
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1CCCc1cccc2ccccc12
InChIInChI=1S/C21H24N4O/c22-20-18(15-23-21(24-20)25-11-13-26-14-12-25)9-4-8-17-7-3-6-16-5-1-2-10-19(16)17/h1-3,5-7,10,15H,4,8-9,11-14H2,(H2,22,23,24)
InChIKeyISMFXMUURZRFOB-UHFFFAOYSA-N
XLogP3.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)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

5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
CID 15334563
5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 62900378
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122298854
1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-naphthalen-1-ylethanone
CID 86264700
1-(2-morpholin-4-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-naphthalen-1-ylethanone
CID 131703547
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005
2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol
CID 158695019
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
4-N,4-N-dimethyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 121204937
3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 170879139
5-[[3,5-diethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636816

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine (CID 134120434) is 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine is Nc1nc(N2CCOCC2)ncc1CCCc1cccc2ccccc12.
What is the InChIKey of 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is ISMFXMUURZRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-20-18(15-23-21(24-20)25-11-13-26-14-12-25)9-4-8-17-7-3-6-16-5-1-2-10-19(16)17/h1-3,5-7,10,15H,4,8-9,11-14H2,(H2,22,23,24).
What are the key properties of 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine?
2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(3-naphthalen-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 134120434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).