[4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium

C11H20N5O2+ — CID 144708838

IUPAC[4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium
SMILESCCC(C)N(CC)c1ncnc(N)c1[N+](=O)OC
InChIInChI=1S/C11H20N5O2/c1-5-8(3)15(6-2)11-9(16(17)18-4)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)/q+1
InChIKeyZNKBFCVKMOJXLH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds6

About [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium

[4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium (PubChem CID 144708838) has the molecular formula C11H20N5O2+ and a molecular weight of 254.31 g/mol. Its IUPAC name is [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium.

Molecular Properties

Compound Name[4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium
PubChem CID144708838
Molecular FormulaC11H20N5O2+
Molecular Weight254.31 g/mol
Exact Mass254.16
IUPAC Name[4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium
SMILESCCC(C)N(CC)c1ncnc(N)c1[N+](=O)OC
InChIInChI=1S/C11H20N5O2/c1-5-8(3)15(6-2)11-9(16(17)18-4)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)/q+1
InChIKeyZNKBFCVKMOJXLH-UHFFFAOYSA-N
XLogP1.66
TPSA84.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-butan-2-yl-4-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80784628
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
1-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826749
4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
CID 80821387
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine
CID 62671629
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
2-[(6-amino-5-nitropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808990
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80795257

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium?
The IUPAC name of [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium (CID 144708838) is [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium.
What is the SMILES notation for [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium?
The canonical SMILES for [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium is CCC(C)N(CC)c1ncnc(N)c1[N+](=O)OC.
What is the InChIKey of [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium?
The InChIKey is ZNKBFCVKMOJXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N5O2/c1-5-8(3)15(6-2)11-9(16(17)18-4)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)/q+1.
What are the key properties of [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium?
[4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium has a molecular weight of 254.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-[butan-2-yl(ethyl)amino]pyrimidin-5-yl]-methoxy-oxoazanium is sourced from PubChem (CID 144708838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).