4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine

C7H13N5O — CID 80766455

IUPAC4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
SMILESCOCCNc1cc(N)nc(N)n1
InChIInChI=1S/C7H13N5O/c1-13-3-2-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H5,8,9,10,11,12)
InChIKeyFBHUPZSKXLPMNS-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.30
Rot. Bonds4

About 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine

4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine (PubChem CID 80766455) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
PubChem CID80766455
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
SMILESCOCCNc1cc(N)nc(N)n1
InChIInChI=1S/C7H13N5O/c1-13-3-2-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H5,8,9,10,11,12)
InChIKeyFBHUPZSKXLPMNS-UHFFFAOYSA-N
XLogP-0.30
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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-(4-aminobutyl)pyrimidine-2,4,6-triamine
CID 54487404
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80768145
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257948
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine (CID 80766455) is 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine is COCCNc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine?
The InChIKey is FBHUPZSKXLPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-13-3-2-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H5,8,9,10,11,12).
What are the key properties of 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine?
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine has a molecular weight of 183.22 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80766455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).