N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine

C15H28N4O — CID 82457964

IUPACN',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(OC)nc(CC(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-19(7-2)9-8-16-13-11-15(20-5)18-14(17-13)10-12(3)4/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyPZDSPHIGEAQXDD-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.44
Rot. Bonds9

About N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine

N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 82457964) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID82457964
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(OC)nc(CC(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-19(7-2)9-8-16-13-11-15(20-5)18-14(17-13)10-12(3)4/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyPZDSPHIGEAQXDD-UHFFFAOYSA-N
XLogP2.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-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

N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
CID 82457973
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
6-methoxy-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82457957
6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 82457971
N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82457974
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456798
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine (CID 82457964) is N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine is CCN(CC)CCNc1cc(OC)nc(CC(C)C)n1.
What is the InChIKey of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is PZDSPHIGEAQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-19(7-2)9-8-16-13-11-15(20-5)18-14(17-13)10-12(3)4/h11-12H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 82457964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).