4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine

C16H31N5 — CID 80939676

IUPAC4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCN(CC)CC)nc(CC)n1
InChIInChI=1S/C16H31N5/c1-5-10-17-15-13-16(20-14(6-2)19-15)18-11-9-12-21(7-3)8-4/h13H,5-12H2,1-4H3,(H2,17,18,19,20)
InChIKeyOHMRNZKPNRBQHL-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.00
Rot. Bonds11

About 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80939676) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80939676
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCN(CC)CC)nc(CC)n1
InChIInChI=1S/C16H31N5/c1-5-10-17-15-13-16(20-14(6-2)19-15)18-11-9-12-21(7-3)8-4/h13H,5-12H2,1-4H3,(H2,17,18,19,20)
InChIKeyOHMRNZKPNRBQHL-UHFFFAOYSA-N
XLogP3.00
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
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
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
2-ethyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935369
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80939676) is 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCCN(CC)CC)nc(CC)n1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OHMRNZKPNRBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-10-17-15-13-16(20-14(6-2)19-15)18-11-9-12-21(7-3)8-4/h13H,5-12H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).