4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine

C20H30N6O2 — CID 19143093

IUPAC4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCCCCOc1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1
InChIInChI=1S/C20H30N6O2/c1-2-3-12-28-17-6-4-16(5-7-17)25-20-18(21)19(23-15-24-20)22-8-9-26-10-13-27-14-11-26/h4-7,15H,2-3,8-14,21H2,1H3,(H2,22,23,24,25)
InChIKeyOAUFKBYPYSPPEN-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.73
Rot. Bonds10

About 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine

4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19143093) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID19143093
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
SMILESCCCCOc1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1
InChIInChI=1S/C20H30N6O2/c1-2-3-12-28-17-6-4-16(5-7-17)25-20-18(21)19(23-15-24-20)22-8-9-26-10-13-27-14-11-26/h4-7,15H,2-3,8-14,21H2,1H3,(H2,22,23,24,25)
InChIKeyOAUFKBYPYSPPEN-UHFFFAOYSA-N
XLogP2.73
TPSA97.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
5-butyl-6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 70992525
4-N-(4-butoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19143072
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
ethyl 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 19153422
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137693

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine (CID 19143093) is 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is CCCCOc1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1.
What is the InChIKey of 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is OAUFKBYPYSPPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-2-3-12-28-17-6-4-16(5-7-17)25-20-18(21)19(23-15-24-20)22-8-9-26-10-13-27-14-11-26/h4-7,15H,2-3,8-14,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine?
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 386.50 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).