4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

C13H24N4O2 — CID 80814127

IUPAC4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCOCCOC)n1
InChIInChI=1S/C13H24N4O2/c1-4-5-15-13-16-11(2)10-12(17-13)14-6-7-19-9-8-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyVKVRTQLYNWHZBT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.68
Rot. Bonds10

About 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80814127) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80814127
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCOCCOC)n1
InChIInChI=1S/C13H24N4O2/c1-4-5-15-13-16-11(2)10-12(17-13)14-6-7-19-9-8-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyVKVRTQLYNWHZBT-UHFFFAOYSA-N
XLogP1.68
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
4-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80813692
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80814127) is 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCCOCCOC)n1.
What is the InChIKey of 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VKVRTQLYNWHZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-15-13-16-11(2)10-12(17-13)14-6-7-19-9-8-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80814127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).