4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine

C11H20N4O — CID 82455679

IUPAC4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NCC)c1N
InChIInChI=1S/C11H20N4O/c1-4-7-16-11-9(12)10(13-6-3)14-8(5-2)15-11/h4-7,12H2,1-3H3,(H,13,14,15)
InChIKeyQMRCBTRQRJUABS-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.84
Rot. Bonds6

About 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine

4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine (PubChem CID 82455679) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
PubChem CID82455679
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NCC)c1N
InChIInChI=1S/C11H20N4O/c1-4-7-16-11-9(12)10(13-6-3)14-8(5-2)15-11/h4-7,12H2,1-3H3,(H,13,14,15)
InChIKeyQMRCBTRQRJUABS-UHFFFAOYSA-N
XLogP1.84
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455713
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
2-ethyl-6-(2-methoxyethoxy)-4-N-methylpyrimidine-4,5-diamine
CID 82455778
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455686
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine (CID 82455679) is 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(CC)nc(NCC)c1N.
What is the InChIKey of 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine?
The InChIKey is QMRCBTRQRJUABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-7-16-11-9(12)10(13-6-3)14-8(5-2)15-11/h4-7,12H2,1-3H3,(H,13,14,15).
What are the key properties of 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine?
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).