4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine

C11H20N4O — CID 102701914

IUPAC4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCC(C)OC
InChIInChI=1S/C11H20N4O/c1-4-5-9-10(12)14-7-15-11(9)13-6-8(2)16-3/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyBIACNUAXAKNPKX-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.46
Rot. Bonds6

About 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine

4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 102701914) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
PubChem CID102701914
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCC(C)OC
InChIInChI=1S/C11H20N4O/c1-4-5-9-10(12)14-7-15-11(9)13-6-8(2)16-3/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyBIACNUAXAKNPKX-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
6-N-ethyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701780
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
CID 114102431
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
CID 80907775
6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine
CID 80882277
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80831148

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine (CID 102701914) is 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCC(C)OC.
What is the InChIKey of 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is BIACNUAXAKNPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-9-10(12)14-7-15-11(9)13-6-8(2)16-3/h7-8H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 102701914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).