6-propoxy-2-propylpyrimidine-4,5-diamine

C10H18N4O — CID 82456103

IUPAC6-propoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCOc1nc(CCC)nc(N)c1N
InChIInChI=1S/C10H18N4O/c1-3-5-7-13-9(12)8(11)10(14-7)15-6-4-2/h3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyDMBRXCZGHXRKML-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.38
Rot. Bonds5

About 6-propoxy-2-propylpyrimidine-4,5-diamine

6-propoxy-2-propylpyrimidine-4,5-diamine (PubChem CID 82456103) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-propoxy-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-propoxy-2-propylpyrimidine-4,5-diamine
PubChem CID82456103
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name6-propoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCOc1nc(CCC)nc(N)c1N
InChIInChI=1S/C10H18N4O/c1-3-5-7-13-9(12)8(11)10(14-7)15-6-4-2/h3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyDMBRXCZGHXRKML-UHFFFAOYSA-N
XLogP1.38
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436
6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988067
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80988014
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455747
6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80990509
3-propoxypyrazin-2-amine
CID 102987993

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-propoxy-2-propylpyrimidine-4,5-diamine (CID 82456103) is 6-propoxy-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-propoxy-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-propoxy-2-propylpyrimidine-4,5-diamine is CCCOc1nc(CCC)nc(N)c1N.
What is the InChIKey of 6-propoxy-2-propylpyrimidine-4,5-diamine?
The InChIKey is DMBRXCZGHXRKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-7-13-9(12)8(11)10(14-7)15-6-4-2/h3-6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-propoxy-2-propylpyrimidine-4,5-diamine?
6-propoxy-2-propylpyrimidine-4,5-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).