4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine

C12H22N4O2 — CID 82455564

IUPAC4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
SMILESCCC(C)Nc1nc(C)nc(OCCOC)c1N
InChIInChI=1S/C12H22N4O2/c1-5-8(2)14-11-10(13)12(16-9(3)15-11)18-7-6-17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyRWUCINUWUUWIRG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.60
Rot. Bonds7

About 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine

4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine (PubChem CID 82455564) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
PubChem CID82455564
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
SMILESCCC(C)Nc1nc(C)nc(OCCOC)c1N
InChIInChI=1S/C12H22N4O2/c1-5-8(2)14-11-10(13)12(16-9(3)15-11)18-7-6-17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyRWUCINUWUUWIRG-UHFFFAOYSA-N
XLogP1.60
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.60
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

4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457954
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455780
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455571
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458799
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
2-ethyl-6-(2-methoxyethoxy)-4-N-methylpyrimidine-4,5-diamine
CID 82455778

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine (CID 82455564) is 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine is CCC(C)Nc1nc(C)nc(OCCOC)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
The InChIKey is RWUCINUWUUWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-8(2)14-11-10(13)12(16-9(3)15-11)18-7-6-17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine?
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).