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

C10H18N4O — CID 80765819

IUPAC4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCOC
InChIInChI=1S/C10H18N4O/c1-3-4-8-9(11)13-7-14-10(8)12-5-6-15-2/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyVXTVEQSYYDLPOH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.07
Rot. Bonds6

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

4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80765819) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80765819
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCOC
InChIInChI=1S/C10H18N4O/c1-3-4-8-9(11)13-7-14-10(8)12-5-6-15-2/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyVXTVEQSYYDLPOH-UHFFFAOYSA-N
XLogP1.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.07
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-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072
6-hydrazinyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19150351
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80846566
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
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-methoxyethyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine (CID 80765819) is 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCCOC.
What is the InChIKey of 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is VXTVEQSYYDLPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-8-9(11)13-7-14-10(8)12-5-6-15-2/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).