4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine

C16H31N5 — CID 80940577

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

About 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80940577) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80940577
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCN(CC)CC)nc(CCC)n1
InChIInChI=1S/C16H31N5/c1-5-9-14-19-15(17-10-6-2)13-16(20-14)18-11-12-21(7-3)8-4/h13H,5-12H2,1-4H3,(H2,17,18,19,20)
InChIKeyVSPQVQDGZYJUGK-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

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Related Compounds

6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80940577) is 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(NCCN(CC)CC)nc(CCC)n1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is VSPQVQDGZYJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-9-14-19-15(17-10-6-2)13-16(20-14)18-11-12-21(7-3)8-4/h13H,5-12H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-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-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).