N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine

C15H28N4 — CID 55113584

IUPACN,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCNCCCc1c(C)nc(N(CC)CC)nc1C
InChIInChI=1S/C15H28N4/c1-6-16-11-9-10-14-12(4)17-15(18-13(14)5)19(7-2)8-3/h16H,6-11H2,1-5H3
InChIKeyIYEVXRDFRXRDAN-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.48
Rot. Bonds8

About N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine

N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 55113584) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID55113584
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCNCCCc1c(C)nc(N(CC)CC)nc1C
InChIInChI=1S/C15H28N4/c1-6-16-11-9-10-14-12(4)17-15(18-13(14)5)19(7-2)8-3/h16H,6-11H2,1-5H3
InChIKeyIYEVXRDFRXRDAN-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 24992735
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271008
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
CID 135271018
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-thiomorpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271033
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine (CID 55113584) is N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine is CCNCCCc1c(C)nc(N(CC)CC)nc1C.
What is the InChIKey of N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is IYEVXRDFRXRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-16-11-9-10-14-12(4)17-15(18-13(14)5)19(7-2)8-3/h16H,6-11H2,1-5H3.
What are the key properties of N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine?
N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 55113584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).