6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C18H24N4O — CID 117080618

IUPAC6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCc1cccc(-c2cc(NCCCN3CCOCC3)ncn2)c1
InChIInChI=1S/C18H24N4O/c1-15-4-2-5-16(12-15)17-13-18(21-14-20-17)19-6-3-7-22-8-10-23-11-9-22/h2,4-5,12-14H,3,6-11H2,1H3,(H,19,20,21)
InChIKeyFSZDNVQEOZXJSI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.59
Rot. Bonds6

About 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 117080618) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID117080618
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCc1cccc(-c2cc(NCCCN3CCOCC3)ncn2)c1
InChIInChI=1S/C18H24N4O/c1-15-4-2-5-16(12-15)17-13-18(21-14-20-17)19-6-3-7-22-8-10-23-11-9-22/h2,4-5,12-14H,3,6-11H2,1H3,(H,19,20,21)
InChIKeyFSZDNVQEOZXJSI-UHFFFAOYSA-N
XLogP2.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3-methylphenyl)-N-(3-morpholin-4-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

6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
5-[3-(3-methylphenyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68920820
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 117080618) is 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Cc1cccc(-c2cc(NCCCN3CCOCC3)ncn2)c1.
What is the InChIKey of 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is FSZDNVQEOZXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-4-2-5-16(12-15)17-13-18(21-14-20-17)19-6-3-7-22-8-10-23-11-9-22/h2,4-5,12-14H,3,6-11H2,1H3,(H,19,20,21).
What are the key properties of 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 117080618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).